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 3 results

Search term: IQWKKLKHEOKHHD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10269642

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H64O14/c1-35(2)22-8-11-37(4)23(16-19(43)25-31-40(7,50)39(6)13-15-41(31,34(49)55-39)14-12-38(25,37)5)36(22,3)10-9-24(35)53-33-30(26(45)20(44)18-51-33)54-32-29(48)28(47)27(46)21(17-42)52-32/h19-24,26-30,32-33,42-48,50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29-,30-,32+,33+,36+,37-,38-,39+,40+,41-/m1/s1
C41H64O14780.93853300
8137950

13 of 19 defined stereocentres - 13/19 defined
InChI=1/C41H64O14/c1-35(2)22-8-11-37(4)23(16-19(43)25-31-40(7,50)39(6)13-15-41(31,34(49)55-39)14-12-38(25,37)5)36(22,3)10-9-24(35)53-33-30(26(45)20(44)18-51-33)54-32-29(48)28(47)27(46)21(17-42)52-32/h19-24,26-30,32-33,42-48,50H,8-18H2,1-7H3/t19-,20+,21?,22?,23?,24+,26+,27-,28+,29-,30-,32?,33?,36+,37-,38-,39+,40+,41?/m1/s1
C41H64O14780.93852100
8684858

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C41H64O14/c1-35(2)22-8-11-37(4)23(16-19(43)25-31-40(7,50)39(6)13-15-41(31,34(49)55-39)14-12-38(25,37)5)36(22,3)10-9-24(35)53-33-30(26(45)20(44)18-51-33)54-32-29(48)28(47)27(46)21(17-42)52-32/h19-24,26-30,32-33,42-48,50H,8-18H2,1-7H3/t19-,20+,21-,22?,23-,24+,26+,27-,28+,29-,30-,32+,33+,36+,37-,38-,39+,40+,41-/m1/s1
C41H64O14780.93852100

Advertisement