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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 85 results

Search term: C32H44N2O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390345

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.7004241800
21468867

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.7004191200
43055118
InChI=1/2C14H19NO.C4H6O6/c2*1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13;5-1(3(7)8)2(6)4(9)10/h2*3-4,8-9,13,15-16H,5-7H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*9-,13+,14+;1-,2-/m110/s1
C32H44N2O8584.7004111000
17515358

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26?,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.700410700
21185290

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.700410900
58170799

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+/m1/s1
C32H44N2O8584.70048700
53597912

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H44N2O8/c1-34(20-9-6-5-7-10-20)12-8-11-33-32(37)29-23(17-35)30(36)22-16-25-24(41-18-42-25)15-21(22)28(29)19-13-26(38-2)31(40-4)27(14-19)39-3/h13-16,20,23,28-30,35-36H,5-12,17-18H2,1-4H3,(H,33,37)/t23-,28+,29-,30-/m0/s1
C32H44N2O8584.70047600
17460026

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20?,22+,23-,24?,25?,26-,27?,29-,30+,31?,32+/m1/s1
C32H44N2O8584.70046300
21388849

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C32H44N2O8/c1-31-14-13-27(42-30(38)34-21-15-24(39-3)29(41-5)25(16-21)40-4)32(2,19-35)26(31)12-11-23(36)22(31)17-28(37)33-18-20-9-7-6-8-10-20/h6-10,15-16,22-23,26-27,35-36H,11-14,17-19H2,1-5H3,(H,33,37)(H,34,38)/t22-,23-,26?,27-,31+,32+/m1/s1
C32H44N2O8584.70046500
21781475

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26-,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.70045500
4883594

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19?,20-,22-,23?,24?,25-,26?,27-,29+,30-,31-,32-/m0/s1
C32H44N2O8584.70045300
115285373
InChI=1/C32H44N2O8/c1-35-11-13-37-15-17-39-19-21-41-31-23-30(26-5-9-28(34)10-6-26)32(24-29(31)25-3-7-27(33)8-4-25)42-22-20-40-18-16-38-14-12-36-2/h3-10,23-24H,11-22,33-34H2,1-2H3
C32H44N2O8584.70045500
57257170

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20?,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
C32H44N2O8584.70045300
82951805

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23-,24+,25+,26?,27+,29+,30+,31+,32+/m1/s1
C32H44N2O8584.70044300
25033272

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H44N2O8/c1-18(2)20(5)29(38)33-31(40)27(37)25(35)26(36)28(32(41)34-30(39)21(6)19(3)4)42-24-16-14-23(15-17-24)13-12-22-10-8-7-9-11-22/h7-11,14-21,25-28,35-37H,12-13H2,1-6H3,(H,33,38,40)(H,34,39,41)/t20-,21-,25+,26+,27+,28+/m0/s1
C32H44N2O8584.70043300
9061670

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C32H44N2O8/c1-31(2,3)41-29(37)33-25(27(35)39-21-23-15-9-7-10-16-23)19-13-14-20-26(34-30(38)42-32(4,5)6)28(36)40-22-24-17-11-8-12-18-24/h7-12,15-18,25-26H,13-14,19-22H2,1-6H3,(H,33,37)(H,34,38)/t25-,26-/m1/s1
C32H44N2O8584.70042100
9192540

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C32H44N2O8/c1-31(2,3)41-29(37)33-25(27(35)39-21-23-15-9-7-10-16-23)19-13-14-20-26(34-30(38)42-32(4,5)6)28(36)40-22-24-17-11-8-12-18-24/h7-12,15-18,25-26H,13-14,19-22H2,1-6H3,(H,33,37)(H,34,38)/t25-,26-/m0/s1
C32H44N2O8584.70042100
9289704

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H44N2O8/c1-22(35)38-21-26-28(40-20-24-16-12-9-13-17-24)27(39-19-23-14-10-8-11-15-23)25(18-33-29(36)41-31(2,3)4)34(26)30(37)42-32(5,6)7/h8-17,25-28H,18-21H2,1-7H3,(H,33,36)/t25-,26+,27-,28-/m1/s1
C32H44N2O8584.70042100
10059219

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H44N2O8/c1-31-14-13-27(42-30(38)34-21-15-24(39-3)29(41-5)25(16-21)40-4)32(2,19-35)26(31)12-11-23(36)22(31)17-28(37)33-18-20-9-7-6-8-10-20/h6-10,15-16,22-23,26-27,35-36H,11-14,17-19H2,1-5H3,(H,33,37)(H,34,38)/t22-,23-,26-,27-,31+,32+/m1/s1
C32H44N2O8584.70042100
10059220

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H44N2O8/c1-31-14-13-27(42-30(38)34-21-15-24(39-3)29(41-5)25(16-21)40-4)32(2,19-35)26(31)12-11-23(36)22(31)17-28(37)33-18-20-9-7-6-8-10-20/h6-10,15-16,22-23,26-27,35-36H,11-14,17-19H2,1-5H3,(H,33,37)(H,34,38)/t22-,23-,26+,27-,31+,32+/m1/s1
C32H44N2O8584.70042100
12345

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