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: SUSQHPKXERIBBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
552848

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O16/c1-21-29-23-9-10-27-43(5)13-12-28(42(3,4)26(43)11-14-45(27,7)44(23,6)15-17-47(29)18-16-46(21,8)63-41(47)56)60-40-37(34(54)32(52)25(19-48)59-40)62-39-36(31(51)24(49)20-57-39)61-38-35(55)33(53)30(50)22(2)58-38/h21-40,48-55H,9-20H2,1-8H3/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40+,43+,44-,45-,46+,47-/m1/s1
C47H76O16897.09672200
24534602

22 of 25 defined stereocentres - 22/25 defined
InChI=1/C47H76O16/c1-21-29-23-9-10-27-43(5)13-12-28(42(3,4)26(43)11-14-45(27,7)44(23,6)15-17-47(29)18-16-46(21,8)63-41(47)56)60-40-37(34(54)32(52)25(19-48)59-40)62-39-36(31(51)24(49)20-57-39)61-38-35(55)33(53)30(50)22(2)58-38/h21-40,48-55H,9-20H2,1-8H3/t21-,22+,23?,24+,25-,26?,27?,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40+,43+,44-,45-,46+,47-/m1/s1
C47H76O16897.09671100

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