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
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Found 7 results

Search term: CBHKWVNFZKJLIS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28642272

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23-,24-,25-,26-,27-/m0/s1
C29H53NO5495.7348152000
57516247

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)
C29H53NO5495.73484400
24718780

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
C29H53NO5495.73483300
28644323

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23-,24-,25-,26-,27+/m0/s1
C29H53NO5495.73483300
28644374

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23-,24+,25+,26+,27+/m1/s1
C29H53NO5495.73482200
28642726

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23-,24+,25+,26+,27-/m1/s1
C29H53NO5495.73482200
129188571

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24?,25-,26-,27-/m0/s1
C29H53NO5495.73481100

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