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: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2(C1=CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)C)C (Found by conversion of search term to chemical structure (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390409

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
C27H42O6462.6188222000
3680494

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3
C27H42O6462.618782100
9571986

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6-7,12,16-18,20-23,29-33H,8-11,13-14H2,1-5H3/t16?,17?,18?,20-,21+,22+,23-,25+,26-,27+/m1/s1
C27H42O6462.61882100
58816824

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26?,27+/m0/s1
C27H42O6462.61881100
113385117

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h8,12,16,18,20-23,29-33H,6-7,9-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
C27H42O6462.61881100

Advertisement