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: KSQMUXSCAWKGQO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
434842

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C42H68O14/c1-19(2)21(45)9-8-20(3)28-23(53-36-33(51)31(49)29(47)24(16-43)54-36)15-40(7)26-14-22(46)35-38(4,5)27(56-37-34(52)32(50)30(48)25(17-44)55-37)10-11-42(35)18-41(26,42)13-12-39(28,40)6/h20,22-37,43-44,46-52H,1,8-18H2,2-7H3
C42H68O14796.98094300
348945

10 of 21 defined stereocentres - 10/21 defined
InChI=1/C42H68O14/c1-19(2)21(45)9-8-20(3)28-23(53-36-33(51)31(49)29(47)24(16-43)54-36)15-40(7)26-14-22(46)35-38(4,5)27(56-37-34(52)32(50)30(48)25(17-44)55-37)10-11-42(35)18-41(26,42)13-12-39(28,40)6/h20,22-37,43-44,46-52H,1,8-18H2,2-7H3/t20-,22+,23+,24?,25?,26+,27+,28+,29?,30?,31?,32?,33?,34?,35?,36?,37?,39-,40+,41+,42-/m1/s1
C42H68O14796.98093200

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