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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
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Isotopically Labeled
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Found 50 results

Search term: C31H43NO10 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608536

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.6738161300
35517741

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31-/m1/s1
C31H43NO10589.67389900
57256856

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67388600
17468540

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H43NO10/c1-28(2,26(38)27(39)40)16-32-23(36)7-8-24(37)42-15-22(35)31(41)12-10-20-19-6-5-17-13-18(33)9-11-29(17,3)25(19)21(34)14-30(20,31)4/h13,19-20,25-26,38,41H,5-12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19-,20-,25+,26?,29-,30-,31-/m0/s1
C31H43NO10589.67388500
17468703

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H43NO10/c1-28(2,26(38)27(39)40)16-32-23(36)7-8-24(37)42-15-22(35)31(41)12-10-20-19-6-5-17-13-18(33)9-11-29(17,3)25(19)21(34)14-30(20,31)4/h9,11,13,19-21,25-26,34,38,41H,5-8,10,12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19-,20-,21-,25+,26?,29-,30-,31-/m0/s1
C31H43NO10589.67387400
17468708

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H43NO10/c1-29-10-8-18(33)12-17(29)4-5-20-21-9-11-31(40,30(21,2)14-23(35)27(20)29)24(36)16-42-26(38)7-6-25(37)32-15-19(34)13-22(32)28(39)41-3/h12,19-23,27,34-35,40H,4-11,13-16H2,1-3H3/t19?,20-,21-,22?,23-,27+,29-,30-,31-/m0/s1
C31H43NO10589.67387400
21243501

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67385300
84393825

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29+,30+,31-/m1/s1
C31H43NO10589.67384400
32696908

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28-,29-,30+,31-/m1/s1
C31H43NO10589.67383100
57525101

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H41NO6.C2H2O4/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5;3-1(4)2(5)6/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3;(H,3,4)(H,5,6)/b14-10+;/t23-,24-,26-,27-,28+,29+;/m1./s1
C31H43NO10589.67383300
2300844

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18-,19+,20?,21-,22+,23?,24-,25+,26-,28-,29-,30?,31+/m0/s1
C31H43NO10589.6738199999983200
5141285

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H43NO10/c1-20(2)28-31(5,6)42-30(38)32(28)29(37)21(3)27(41-22(4)34)26(36)15-14-24(35)13-10-16-39-19-25(17-33)40-18-23-11-8-7-9-12-23/h7-9,11-12,14-15,20-21,25,27-28,33H,10,13,16-19H2,1-6H3/t21-,25-,27-,28-/m1/s1
C31H43NO10589.67382100
5141326

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H43NO10/c1-21(2)28-31(4,5)42-30(38)32(28)29(37)25(20-23-10-7-6-8-11-23)27(41-22(3)34)26(36)14-13-24(35)12-9-16-39-18-19-40-17-15-33/h6-8,10-11,13-14,21,25,27-28,33H,9,12,15-20H2,1-5H3/t25-,27-,28-/m0/s1
C31H43NO10589.67382100
5141491

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H43NO10/c1-21(2)28-31(4,5)42-30(38)32(28)29(37)25(20-23-10-7-6-8-11-23)27(41-22(3)34)26(36)14-13-24(35)12-9-16-39-18-19-40-17-15-33/h6-8,10-11,13-14,21,25,27-28,33H,9,12,15-20H2,1-5H3/t25-,27-,28-/m1/s1
C31H43NO10589.67382100
5141569

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H43NO10/c1-20(2)28-31(5,6)42-30(38)32(28)29(37)21(3)27(41-22(4)34)26(36)15-14-24(35)13-10-16-39-19-25(17-33)40-18-23-11-8-7-9-12-23/h7-9,11-12,14-15,20-21,25,27-28,33H,10,13,16-19H2,1-6H3/t21-,25+,27-,28-/m0/s1
C31H43NO10589.67382100
8070404

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22-,23?,24+,25-,26+,28+,29+,30+,31-/m1/s1
C31H43NO10589.67382100
9367670

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H43NO10/c1-4-19(2)31(37)42-28-15-25(34)13-23-9-8-20(3)27(30(23)28)11-10-24(33)14-26(35)16-29(36)40-17-21-6-5-7-22(12-21)18-41-32(38)39/h5-9,12-13,19-20,24-28,30,33-35H,4,10-11,14-18H2,1-3H3/t19-,20-,24+,25+,26+,27-,28-,30-/m0/s1
C31H43NO10589.67382100
9494247

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H43NO10/c1-4-19(2)31(37)42-28-15-25(34)13-21-10-9-20(3)27(30(21)28)12-11-24(33)14-26(35)16-29(36)40-17-22-7-5-6-8-23(22)18-41-32(38)39/h5-10,13,19-20,24-28,30,33-35H,4,11-12,14-18H2,1-3H3/t19-,20-,24+,25+,26+,27-,28-,30-/m0/s1
C31H43NO10589.67382100
9540260

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H43NO10/c1-4-19(2)31(37)42-28-15-25(34)13-23-10-5-20(3)27(30(23)28)12-11-24(33)14-26(35)16-29(36)40-17-21-6-8-22(9-7-21)18-41-32(38)39/h5-10,13,19-20,24-28,30,33-35H,4,11-12,14-18H2,1-3H3/t19-,20-,24+,25+,26+,27-,28-,30-/m0/s1
C31H43NO10589.67382100
31117976

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67382200
123

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