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 4 results

Search term: UXBAUUVEYYMRCL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9664898

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C35H60O6/c1-19(2)20(3)8-9-21(4)24-12-13-26-23-10-11-25-22(5)28(15-17-35(25,7)27(23)14-16-34(24,26)6)40-33-32(39)31(38)30(37)29(18-36)41-33/h10,19-22,24-33,36-39H,8-9,11-18H2,1-7H3/t20-,21+,22?,24+,25-,26-,27-,28?,29+,30+,31-,32+,33+,34+,35-/m0/s1
C35H60O6576.84732100
9874544

5 of 15 defined stereocentres - 5/15 defined
InChI=1/C35H60O6/c1-19(2)20(3)8-9-21(4)24-12-13-26-23-10-11-25-22(5)28(15-17-35(25,7)27(23)14-16-34(24,26)6)40-33-32(39)31(38)30(37)29(18-36)41-33/h10,19-22,24-33,36-39H,8-9,11-18H2,1-7H3/t20?,21?,22?,24?,25?,26?,27?,28?,29-,30-,31+,32-,33-,34?,35?/m1/s1
C35H60O6576.84732100
10164282

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C35H60O6/c1-19(2)20(3)8-9-21(4)24-12-13-26-23-10-11-25-22(5)28(15-17-35(25,7)27(23)14-16-34(24,26)6)40-33-32(39)31(38)30(37)29(18-36)41-33/h10,19-22,24-33,36-39H,8-9,11-18H2,1-7H3/t20?,21-,22+,24-,25+,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+/m1/s1
C35H60O6576.84732100
13163459

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C35H60O6/c1-19(2)20(3)8-9-21(4)24-12-13-26-23-10-11-25-22(5)28(15-17-35(25,7)27(23)14-16-34(24,26)6)40-33-32(39)31(38)30(37)29(18-36)41-33/h10,19-22,24-33,36-39H,8-9,11-18H2,1-7H3/t20-,21+,22?,24+,25?,26-,27-,28?,29+,30+,31-,32+,33+,34+,35-/m0/s1
C35H60O6576.84731100

Advertisement