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: LTHLIQFAHGGQPW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4443082

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H36O10/c1-13-10-28(37-23(13)34)19-14(2)21(32)24(3)7-8-26-11-27-16(25(4,12-30)35-17(27)9-18(31)36-27)6-5-15(26)22(33)29(38-26,39-28)20(19)24/h13-14,16-17,19-20,30,33H,5-12H2,1-4H3/t13-,14+,16+,17-,19+,20+,24+,25+,26+,27-,28+,29-/m0/s1
C29H36O10544.5901399999984400
28540458

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H36O10/c1-13-10-28(37-23(13)34)19-14(2)21(32)24(3)7-8-26-11-27-16(25(4,12-30)35-17(27)9-18(31)36-27)6-5-15(26)22(33)29(38-26,39-28)20(19)24/h13-14,16-17,19-20,30,33H,5-12H2,1-4H3/t13-,14-,16-,17+,19-,20-,24-,25-,26-,27+,28-,29+/m0/s1
C29H36O10544.59014500
9607606

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H36O10/c1-13-10-28(37-23(13)34)19-14(2)21(32)24(3)7-8-26-11-27-16(25(4,12-30)35-17(27)9-18(31)36-27)6-5-15(26)22(33)29(38-26,39-28)20(19)24/h13-14,16-17,19-20,30,33H,5-12H2,1-4H3/t13-,14+,16+,17-,19+,20?,24+,25+,26+,27-,28+,29-/m0/s1
C29H36O10544.59012100
28285402

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H36O10/c1-13-10-28(37-23(13)34)19-14(2)21(32)24(3)7-8-26-11-27-16(25(4,12-30)35-17(27)9-18(31)36-27)6-5-15(26)22(33)29(38-26,39-28)20(19)24/h13-14,16-17,19-20,30,33H,5-12H2,1-4H3/t13-,14-,16-,17+,19?,20-,24-,25-,26-,27+,28-,29+/m0/s1
C29H36O10544.59011100

Advertisement