Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 32 results

Search term: QVHJQCGUWFKTSE (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
76745

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1
C8H15NO4189.209147160240
235994

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)
C8H15NO4189.209128118416
553207

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
C8H15NO4189.20912780110
21170288

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i9+1
C8H1515NO4190.2024232400
17341051

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i6+1
C713CH15NO4190.2017192000
8256829

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1D3
C8H12D3NO4192.2275171600
23935479

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1D3,5D
C8H11D4NO4193.2336161700
24533389

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1/i1D3
C8H12D3NO4192.2275131400
17341293

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1+1
C713CH15NO4190.2017121300
8901674

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5D
C8H14DNO4190.215212900
17344913

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1+1,5+1,6+1
C513C3H15NO4192.187101200
17345050

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5+1
C713CH15NO4190.20176500
17341019

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1+1,5+1,6+1,9+1
C513C3H1515NO4193.18045400
49071304

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5+1,9+1
C713CH1515NO4191.19514300
49071660

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1+1D3,5+1D,6+1
C513C3H11D4NO4196.21163400
49073021

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1/i1+1
C713CH15NO4190.20173200
5362499

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/p-1/t5-/m1/s1
C8H14NO4188.20163300
24533145

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1/i1D3,5D
C8H11D4NO4193.23363200
8417233

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1D3,5+1,6+1,9+1
C613C2H12D315NO4195.20622200
8505663

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5+1,6+1,9+1
C613C2H1515NO4192.18772100
12

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