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: YXUGUUGNHVVXAI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9308866

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O2428.690212700
2736365

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3
C29H48O2428.6902200000013200
1382432

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22+,24+,25+,26+,27+,28+,29-/m1/s1
C29H48O2428.69022100
9410764

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22?,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O2428.69022100
22889498

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22+,24?,25?,26?,27?,28?,29?/m1/s1
C29H48O2428.69022100
62496966

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22+,24-,25-,26+,27-,28+,29-/m1/s1
C29H48O2428.69022200

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