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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
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Found 49 results

Search term: C31H36N2O11 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10226117

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
C31H36N2O11612.624377180214687
8981

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
C31H36N2O11612.6243161000
379061

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H36N2O11/c1-14-26(35)17(32)10-21(43-14)44-19-12-31(40,20(34)13-33-6-8-42-9-7-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,35,37,39-40H,6-13,32H2,1-2H3
C31H36N2O11612.62436300
3484659

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H36N2O11/c1-28-7-6-24-30-8-5-21(43-26(35)17-11-19(32(37)38)14-20(12-17)33(39)40)15-29(30,36)9-10-31(24,44-27(30)41-2)23(28)4-3-22(28)18-13-25(34)42-16-18/h11-14,21-24,27,36H,3-10,15-16H2,1-2H3
C31H36N2O11612.6243399999986400
379502

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H36N2O11/c1-13-26(36)17(32-20(35)12-33(3)4)9-21(43-13)44-19-11-31(41,14(2)34)10-16-23(19)30(40)25-24(28(16)38)27(37)15-7-6-8-18(42-5)22(15)29(25)39/h6-8,13,17,19,21,26,36,38,40-41H,9-12H2,1-5H3,(H,32,35)
C31H36N2O11612.62435300
10226118

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-25(43-30(32)39)23(36)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26+,29+/m0/s1
C31H36N2O11612.62435500
4387

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37)
C31H36N2O11612.62435100
10608628

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)
C31H36N2O11612.62434146500
24672946

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1
C31H36N2O11612.62434300
4585511

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H36N2O11/c1-14-27(36)17(33-6-8-42-9-7-33)10-21(43-14)44-19-12-31(40,20(35)13-34)11-16-23(19)30(39)24-25(29(16)38)28(37)15-4-3-5-18(41-2)22(15)26(24)32/h3-5,14,17,19,21,27,34,36-37,40H,6-13,32H2,1-2H3
C31H36N2O11612.62434100
5143342

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C31H36N2O11/c1-14-26(35)17(32)10-21(43-14)44-19-12-31(40,20(34)13-33-6-8-42-9-7-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,35,37,39-40H,6-13,32H2,1-2H3/t14?,17?,19-,21?,26?,31-/m0/s1
C31H36N2O11612.62433200
26374742

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29?/m1/s1
C31H36N2O11612.62433300
29354041

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
C31H36N2O11612.62433300
34245641

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H36N2O11/c1-13-26(36)17(32-20(35)12-33(3)4)9-21(43-13)44-19-11-31(41,14(2)34)10-16-23(19)30(40)25-24(28(16)38)27(37)15-7-6-8-18(42-5)22(15)29(25)39/h6-8,13,17,19,21,26,36,38,40-41H,9-12H2,1-5H3,(H,32,35)/t13-,17-,19-,21-,26+,31-/m0/s1
C31H36N2O11612.62433300
21235268

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26-,29-/m0/s1
C31H36N2O11612.62433200
24671593

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C31H36N2O11/c1-13(2)20-12-16-11-15(7-9-19(16)40-20)27(36)33-21-22(34)17-8-10-18(14(3)24(17)42-28(21)37)41-29-23(35)25(43-30(32)38)26(39-6)31(4,5)44-29/h7-11,13,20,23,25-26,29,34-35H,12H2,1-6H3,(H2,32,38)(H,33,36)/t20?,23-,25+,26-,29-/m1/s1
C31H36N2O11612.62433300
10444894

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H36N2O11/c1-14-27(36)17(33-6-8-42-9-7-33)10-21(43-14)44-19-12-31(40,20(35)13-34)11-16-23(19)30(39)24-25(29(16)38)28(37)15-4-3-5-18(41-2)22(15)26(24)32/h3-5,14,17,19,21,27,32,34,36,38-40H,6-13H2,1-2H3
C31H36N2O11612.62432100
5145968

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23?,25-,26-,29-/m1/s1
C31H36N2O11612.62432100
5146862

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H36N2O11/c1-31(2)16-40-30(39)26(31)44-24(35)10-9-18-6-3-4-7-20(18)29(38)43-23-15-19(14-22-25(23)42-17-41-22)28(37)33-12-5-8-21(33)27(36)32-11-13-34/h3-4,6-7,9-10,14,21-23,25-26,34H,5,8,11-13,15-17H2,1-2H3,(H,32,36)/t21-,22-,23-,25-,26+/m1/s1
C31H36N2O11612.62432100
84361

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C31H36N2O11/c1-14-26(35)17(32)10-21(43-14)44-19-12-31(40,20(34)13-33-6-8-42-9-7-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,35,37,39-40H,6-13,32H2,1-2H3/t14?,17?,19?,21-,26-,31?/m1/s1
C31H36N2O11612.62432100
123

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