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 5 results

Search term: ZQOILFFBJUNGRA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111481

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23-,24-,25-,26-,28-,29-/m0/s1
C35H52N6O10716.8216151400
4188358

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)
C35H52N6O10716.8215799999986700
26636418

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23+,24-,25+,26+,28+,29-/m1/s1
C35H52N6O10716.82162200
26636441

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20-,23-,24-,25+,26+,28+,29-/m1/s1
C35H52N6O10716.82162200
19980944

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H52N6O10/c1-5-20(4)29(34(49)41-17-7-8-25(41)30(45)38-24(35(50)51)18-21-10-12-22(42)13-11-21)39-31(46)26-9-6-16-40(26)33(48)23(14-15-27(43)44)37-32(47)28(36)19(2)3/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/t20?,23-,24-,25-,26-,28-,29-/m0/s1
C35H52N6O10716.82161100

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