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
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Found 2 results

Search term: ACFQHDXOOYLTCN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9882517

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)61-41-38(32(51)25(49)20-58-41)63-40-36(55)37(31(50)22(3)59-40)62-39-35(54)34(53)33(52)26(19-48)60-39/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
C47H76O16897.09675400
9380313

21 of 24 defined stereocentres - 21/24 defined
InChI=1/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)61-41-38(32(51)25(49)20-58-41)63-40-36(55)37(31(50)22(3)59-40)62-39-35(54)34(53)33(52)26(19-48)60-39/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24?,25-,26+,27?,28+,29-,30?,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
C47H76O16897.09672100

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