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 5 results

Search term: VIOLHEUJBAYSHM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4493196

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H21N3O5S/c1-3-32-25(31)22-14(2)28-26-29(23(22)15-8-9-19-20(10-15)34-13-33-19)24(30)21(35-26)11-16-12-27-18-7-5-4-6-17(16)18/h4-12,23,27H,3,13H2,1-2H3/b21-11-
C26H21N3O5S487.527211300
2377106

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H21N3O5S/c1-3-32-25(31)22-14(2)28-26-29(23(22)15-8-9-19-20(10-15)34-13-33-19)24(30)21(35-26)11-16-12-27-18-7-5-4-6-17(16)18/h4-12,23,27H,3,13H2,1-2H3
C26H21N3O5S487.527044300
1370273

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H21N3O5S/c1-3-32-25(31)22-14(2)28-26-29(23(22)15-8-9-19-20(10-15)34-13-33-19)24(30)21(35-26)11-16-12-27-18-7-5-4-6-17(16)18/h4-12,23,27H,3,13H2,1-2H3/b21-11-/t23-/m0/s1
C26H21N3O5S487.5272100
1370274

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H21N3O5S/c1-3-32-25(31)22-14(2)28-26-29(23(22)15-8-9-19-20(10-15)34-13-33-19)24(30)21(35-26)11-16-12-27-18-7-5-4-6-17(16)18/h4-12,23,27H,3,13H2,1-2H3/b21-11-/t23-/m1/s1
C26H21N3O5S487.5272100
128943704

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H21N3O5S/c1-3-32-25(31)22-14(2)28-26-29(23(22)15-8-9-19-20(10-15)34-13-33-19)24(30)21(35-26)11-16-12-27-18-7-5-4-6-17(16)18/h4-12,23,27H,3,13H2,1-2H3/b21-11+
C26H21N3O5S487.5271100

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