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: UVECFACYEYHBAX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4477229

10 of 22 defined stereocentres - 10/22 defined
InChI=1/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3/t19-,20?,21-,22?,23?,24?,25?,26?,27+,28+,29-,30-,31-,32-,33?,34+,35+,38?,39?,40?,41?,42?/m1/s1
C42H68O14796.98092200
8254576

18 of 22 defined stereocentres - 18/22 defined
InChI=1/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3/t19-,20?,21+,22?,23+,24?,25+,26+,27-,28-,29+,30-,31+,32+,33?,34-,35-,38-,39+,40-,41-,42-/m0/s1
C42H68O14796.98092100

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