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: GFFVWOXSIXOPIH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9290918

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C51H82O23/c1-21(2)7-10-29(54)22(3)51(65)34(73-48-44(69-23(4)53)43(31(56)19-67-48)74-46-40(62)35(57)30(55)18-66-46)16-28-26-9-8-24-15-25(11-13-49(24,5)27(26)12-14-50(28,51)6)70-47-42(64)39(61)37(59)33(72-47)20-68-45-41(63)38(60)36(58)32(17-52)71-45/h8,21-22,25-28,30-48,52,55-65H,7,9-20H2,1-6H3/t22-,25+,26-,27+,28+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47-,48+,49+,50+,51-/m1/s1
C51H82O231063.1835400
552689

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C51H82O23/c1-21(2)7-10-29(54)22(3)51(65)34(73-48-44(69-23(4)53)43(31(56)19-67-48)74-46-40(62)35(57)30(55)18-66-46)16-28-26-9-8-24-15-25(11-13-49(24,5)27(26)12-14-50(28,51)6)70-47-42(64)39(61)37(59)33(72-47)20-68-45-41(63)38(60)36(58)32(17-52)71-45/h8,21-22,25-28,30-48,52,55-65H,7,9-20H2,1-6H3/t22-,25+,26-,27+,28+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48+,49+,50+,51-/m1/s1
C51H82O231063.1831100

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