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: XRRQNVSMIVDBQX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31046862

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23-,24-,25+,26-,27+/m1/s1
C29H32O6476.56087300
27474226

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23-,24-,25+,26-,27-/m1/s1
C29H32O6476.56087600
28552773

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3
C29H32O6476.56083200
23976819

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23?,24?,25-,26?,27-/m0/s1
C29H32O6476.56082100
62311471

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23-,24-,25-,26+,27+/m1/s1
C29H32O6476.56082200
111308829

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23?,24?,25-,26-,27-/m1/s1
C29H32O6476.56081100
113618679

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H32O6/c1-28(2)34-25-23(33-27(31-3)24(30)26(25)35-28)19-32-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,30H,19H2,1-3H3/t23?,24?,25-,26-,27-/m0/s1
C29H32O6476.56081100

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