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 6 results

Search term: NWPTUAQJIALPLJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64855138

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.0127131400
82965922

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23+,24-,25-,26?,27-,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42-/m0/s1
C42H72O14801.01276500
114545054

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.01273300
113609951

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21+,23-,24-,25-,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36?,37-,40+,41-,42-/m1/s1
C42H72O14801.01271100
20578899

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20?,21-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.01271100
60600329

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23+,24-,25-,26?,27-,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42-/m1/s1
C42H72O14801.01271100

Advertisement