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 3 results

Search term: TWHBAOKWCGVYOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8008281

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C47H51NO14/c1-25-32(60-43(56)35(52)34(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)37-45(6,22-31(51)39-46(37,24-58-39)62-27(3)50)38(53)36(59-26(2)49)33(25)44(47,4)5/h7-21,31-32,34-37,39-40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32+,34+,35-,36-,37+,39-,40+,45-,46-,47-/m1/s1
C47H51NO14853.90613200
8685174

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C47H51NO14/c1-25-32(60-43(56)35(52)34(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)37-45(6,22-31(51)39-46(37,24-58-39)62-27(3)50)38(53)36(59-26(2)49)33(25)44(47,4)5/h7-21,31-32,34-37,39-40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32+,34+,35-,36-,37?,39-,40+,45-,46-,47-/m1/s1
C47H51NO14853.90612100
8923457

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C47H51NO14/c1-25-32(60-43(56)35(52)34(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)37-45(6,22-31(51)39-46(37,24-58-39)62-27(3)50)38(53)36(59-26(2)49)33(25)44(47,4)5/h7-21,31-32,34-37,39-40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,34-,35+,36+,37?,39+,40-,45+,46+,47+/m0/s1
C47H51NO14853.9061399999992100

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