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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 51 results

Search term: C37H50N2O10 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470788

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37+/m0/s1
C37H50N2O10682.800299999998143500
4450894

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
C37H50N2O10682.800299999998131858118
432814

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3
C37H50N2O10682.80031133600
390350

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22-,24+,25+,27-,28+,29-,30+,33?,34+,35-,36+,37-/m1/s1
C37H50N2O10682.80035400
9094758

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37-/m0/s1
C37H50N2O10682.80035400
17466837

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37?/m0/s1
C37H50N2O10682.80033100
4932356

3 of 14 defined stereocentres - 3/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21?,22?,24?,25?,27?,28?,29?,30-,33?,34?,35+,36?,37-/m0/s1
C37H50N2O10682.80033300
4980984

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C37H50N2O10/c1-3-4-5-8-11-15-28(40)16-12-9-6-7-10-13-17-29(37(48,36(46)47)25-33(41)42)34(43)39-31(35(44)45)24-26-20-22-27(23-21-26)30-18-14-19-32(38-30)49-2/h13-14,17-23,29,31,48H,3-12,15-16,24-25H2,1-2H3,(H,39,43)(H,41,42)(H,44,45)(H,46,47)/b17-13+/t29-,31+,37+/m1/s1
C37H50N2O10682.80032200
4980989

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C37H50N2O10/c1-3-4-5-8-11-14-29(40)15-12-9-6-7-10-13-16-31(37(48,36(46)47)23-33(41)42)34(43)39-32(35(44)45)21-26-17-19-27(20-18-26)28-22-30(49-2)25-38-24-28/h13,16-20,22,24-25,31-32,48H,3-12,14-15,21,23H2,1-2H3,(H,39,43)(H,41,42)(H,44,45)(H,46,47)/b16-13+/t31-,32+,37+/m1/s1
C37H50N2O10682.80032200
8050418

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21-,22-,24-,25-,27+,28-,29+,30-,33+,34-,35+,36?,37-/m0/s1
C37H50N2O10682.80032100
8115392

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30-,33?,34+,35-,36+,37+/m1/s1
C37H50N2O10682.80032100
8137140

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21-,22-,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37-/m0/s1
C37H50N2O10682.80032100
9094757
InChI=1/C37H50N2O10/c1-37(2,3)49-36(44)39-31-24-28-21-29(25-31)35(43)48-19-15-11-7-5-9-13-17-46-33(41)27-20-26(22-30(38)23-27)32(40)45-16-12-8-4-6-10-14-18-47-34(28)42/h20-25H,4-19,38H2,1-3H3,(H,39,44)
C37H50N2O10682.80032100
24713671

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1
C37H50N2O10682.80032200
58131686

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37+/m1/s1
C37H50N2O10682.80032200
88301720

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29?,30-,33+,34-,35+,36+,37-/m0/s1
C37H50N2O10682.80032200
96822

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21?,22-,24-,25-,27+,28-,29+,30-,33?,34?,35+,36?,37?/m0/s1
C37H50N2O10682.80032200
4441525

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C37H50N2O10/c1-2-3-4-7-10-15-29(40)16-11-8-5-6-9-12-17-31(37(48,36(46)47)24-33(41)42)34(43)39-32(35(44)45)23-27-18-20-30(21-19-27)49-26-28-14-13-22-38-25-28/h12-14,17-22,25,31-32,48H,2-11,15-16,23-24,26H2,1H3,(H,39,43)(H,41,42)(H,44,45)(H,46,47)/b17-12+/t31-,32+,37+/m1/s1
C37H50N2O10682.8002999999982200
9204000

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C37H50N2O10/c1-7-38-18-34(19-49-32(42)20-10-8-9-11-23(20)39-26(40)12-13-27(39)41)15-14-25(45-3)36-22-16-21-24(44-2)17-35(48-6,28(22)29(21)46-4)37(43,33(36)38)31(47-5)30(34)36/h8-11,21-22,24-25,28-31,33,43H,7,12-19H2,1-6H3/t21-,22?,24+,25+,28?,29+,30?,31+,33?,34+,35-,36+,37+/m1/s1
C37H50N2O10682.80032100
10143197

7 of 14 defined stereocentres - 7/14 defined
InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21?,22-,24?,25?,27-,28?,29-,30+,33-,34+,35-,36?,37?/m1/s1
C37H50N2O10682.80032200
123

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