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 4 results

Search term: DQBAJFFGCXINLY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9789539

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-17-51-42-18-41(19-52-42)22(34(42)40(21,7)50)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)55-36-32(49)33(29(46)24(16-44)54-36)56-35-31(48)30(47)28(45)23(15-43)53-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22?,23-,24-,25+,26-,27+,28-,29-,30+,31-,32-,33+,34?,35+,36+,38+,39-,40+,41+,42-/m1/s1
C42H68O14796.98092100
10165122

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-17-51-42-18-41(19-52-42)22(34(42)40(21,7)50)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)55-36-32(49)33(29(46)24(16-44)54-36)56-35-31(48)30(47)28(45)23(15-43)53-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22?,23-,24-,25?,26?,27+,28-,29-,30+,31-,32-,33+,34?,35+,36+,38+,39-,40+,41+,42-/m1/s1
C42H68O14796.98092100
28283147

14 of 21 defined stereocentres - 14/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-17-51-42-18-41(19-52-42)22(34(42)40(21,7)50)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)55-36-32(49)33(29(46)24(16-44)54-36)56-35-31(48)30(47)28(45)23(15-43)53-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22?,23?,24-,25?,26?,27+,28-,29-,30+,31-,32-,33+,34?,35?,36?,38+,39-,40+,41+,42-/m1/s1
C42H68O14796.98091100
128938645

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-17-51-42-18-41(19-52-42)22(34(42)40(21,7)50)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)55-36-32(49)33(29(46)24(16-44)54-36)56-35-31(48)30(47)28(45)23(15-43)53-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35+,36+,38-,39+,40-,41-,42+/m1/s1
C42H68O14796.98091100

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