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 10 results

Search term: XOPYFXBZMVTEJF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293539


Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1
C35H48N2O10656.763019999998131400
8136839

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28+,29+,31+,32-,33+,34+,35-/m1/s1
C35H48N2O10656.7632100
8136840

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28+,29+,31+,32+,33+,34+,35-/m1/s1
C35H48N2O10656.7632100
8136841

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28-,29?,31-,32+,33-,34+,35-/m1/s1
C35H48N2O10656.7632100
8408829

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9-,23-14-/t25-,26+,27-,28-,29?,31-,32+,33-,34+,35-/m1/s1
C35H48N2O10656.7632100
23339513

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9-,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1
C35H48N2O10656.7632200
29212656

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9-,23-14-/t25-,26+,27-,28?,29+,31?,32?,33?,34+,35-/m1/s1
C35H48N2O10656.7632200
65998631

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9u,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1
C35H48N2O10656.7631700
129309023

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25?,26-,27+,28+,29-,31+,32-,33+,34-,35+/m0/s1
C35H48N2O10656.7631100
21429650

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28?,29+,31?,32?,33?,34-,35-/m1/s1
C35H48N2O10656.763021100

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