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 2 results

Search term: VCDDPBPEEHQXJM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10003671

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C44H68O19/c1-19-37(63-40-36(53)34(51)32(49)27(62-40)18-57-39-35(52)33(50)31(48)26(16-45)61-39)25(55-5)15-30(58-19)60-24-8-10-42(3)23(38(24)59-20(2)46)7-13-44-12-6-22(21-14-29(47)56-17-21)43(4,41(44)54)11-9-28(42)44/h19,21-28,30-40,45,48-53H,6-18H2,1-5H3/t19-,21?,22?,23-,24-,25+,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,42-,43+,44+/m0/s1
C44H68O19900.99932100
10187527

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C44H68O19/c1-19-37(63-40-36(53)34(51)32(49)27(62-40)18-57-39-35(52)33(50)31(48)26(16-45)61-39)25(55-5)15-30(58-19)60-24-8-10-42(3)23(38(24)59-20(2)46)7-13-44-12-6-22(21-14-29(47)56-17-21)43(4,41(44)54)11-9-28(42)44/h19,21-28,30-40,45,48-53H,6-18H2,1-5H3/t19-,21?,22+,23-,24-,25+,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,42-,43+,44-/m0/s1
C44H68O19900.99931100

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