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: OTBHRCNWPMGTFW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1049298

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3
C26H29N3O2415.5274211500
23718224

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/t24-,25+,26?
C26H29N3O2415.52744300
53580821

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/t24-,25+,26-
C26H29N3O2415.52741100
78076733

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/t24-,25-,26-
C26H29N3O2415.52741100
5348066

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/p+2
C26H31N3O2417.54211100

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