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 6 results

Search term: SUUBCCOJQFWJFI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943772

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/b27-20+,34-33+/t28-/m0/s1
C31H25N3O5519.54736500
20143997

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/p-1/b27-20-,34-33+
C31H24N3O5518.53991100
23349607

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/p-1/b27-20-,34-33u
C31H24N3O5518.53991100
64884609

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/b27-20+,34-33+
C31H25N3O5519.54731100
68024883

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/b27-20-,34-33+/t28-/m1/s1
C31H25N3O5519.54731100
120330024

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/b27-20u,34-33+
C31H25N3O5519.54731100

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