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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 56 results

Search term: C32H46N2O8 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390313

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32-/m1/s1
C32H46N2O8586.7162161100
2514933

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H46N2O8/c1-9-11-21(35)23-19(17-31(3,4)25(27(23)37)29(39)41-7)33-13-15-34(16-14-33)20-18-32(5,6)26(30(40)42-8)28(38)24(20)22(36)12-10-2/h25-26H,9-18H2,1-8H3
C32H46N2O8586.7162161000
3027701

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3
C32H46N2O8586.71623999999810800
21470959

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H46N2O8/c1-3-5-19-39-31(37)27-11-7-9-13-29(27)41-23-25(35)21-33-15-17-34(18-16-33)22-26(36)24-42-30-14-10-8-12-28(30)32(38)40-20-6-4-2/h7-14,25-26,35-36H,3-6,15-24H2,1-2H3
C32H46N2O8586.71628600
9138191

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32+/m1/s1
C32H46N2O8586.71626400
22875178

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28+,29+,30-,31?,32+/m1/s1
C32H46N2O8586.71625400
4363197
InChI=1/C32H46N2O8/c33-13-5-1-3-7-27(35)25-9-11-29-31(23-25)41-21-17-37-16-20-40-30-12-10-26(28(36)8-4-2-6-14-34)24-32(30)42-22-18-38-15-19-39-29/h9-12,23-24H,1-8,13-22,33-34H2
C32H46N2O8586.7162399999985300
4409001

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C32H46N2O8/c1-5-17-41-32-28(34(3)31(38)40-6-2)20-26(33-39-4)24-18-21(11-7-9-15-35)23(12-8-10-16-36)29(30(24)32)25-19-22(37)13-14-27(25)42-32/h5,13-14,18-19,21,23,28-30,35-37H,1,6-12,15-17,20H2,2-4H3
C32H46N2O8586.7162399999984400
2910206

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H46N2O8/c1-7-37-25-17-21(18-26(38-8-2)29(25)41-11-5)31(35)33-23-13-15-24(16-14-23)34-32(36)22-19-27(39-9-3)30(42-12-6)28(20-22)40-10-4/h17-20,23-24H,7-16H2,1-6H3,(H,33,35)(H,34,36)
C32H46N2O8586.7162399999984300
21781496

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28+,29+,30-,31+,32-/m1/s1
C32H46N2O8586.71624300
17463660

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C32H46N2O8/c1-19-28(36)25(39-3)15-27(41-19)42-21-4-9-30(18-34-13-12-33)23-5-8-29(2)22(20-14-26(35)40-17-20)7-11-32(29,38)24(23)6-10-31(30,37)16-21/h14,18-19,21-25,27-28,36-38H,4-11,13,15-17H2,1-3H3/b34-18+/t19?,21-,22+,23-,24+,25?,27?,28?,29+,30-,31-,32-/m0/s1
C32H46N2O8586.71624100
3294686

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H46N2O8/c1-9-37-25-15-23(16-26(38-10-2)29(25)41-13-5)31(35)33-19-22(8)34(20-21(33)7)32(36)24-17-27(39-11-3)30(42-14-6)28(18-24)40-12-4/h15-18,21-22H,9-14,19-20H2,1-8H3
C32H46N2O8586.71624300
3929968

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H46N2O8/c1-7-25(23-9-11-27(37-3)29(21-23)39-5)31(35)41-19-17-33-13-15-34(16-14-33)18-20-42-32(36)26(8-2)24-10-12-28(38-4)30(22-24)40-6/h9-12,21-22,25-26H,7-8,13-20H2,1-6H3
C32H46N2O8586.71624300
23718334

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28-,29+,30-,31?,32+/m1/s1
C32H46N2O8586.71623100
78315881

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28+,29+,30-,31+,32-/m1/s1
C32H46N2O8586.71623300
3185217

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C32H46N2O8/c1-6-34-16-19-13-22-27(23-14-21-26(40-4)15-31(19,37)32(23,38)28(21)41-5)25(39-3)11-12-30(22,17-34)42-29(36)20-9-7-8-10-24(20)33-18(2)35/h7-10,19,21-23,25-28,37-38H,6,11-17H2,1-5H3,(H,33,35)
C32H46N2O8586.71623100
8184095

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C32H46N2O8/c1-8-9-10-11-12-13-14-24-21-33(31(35)22-17-25(37-2)29(41-6)26(18-22)38-3)15-16-34(24)32(36)23-19-27(39-4)30(42-7)28(20-23)40-5/h17-20,24H,8-16,21H2,1-7H3
C32H46N2O8586.71623200
3254004

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C32H46N2O8/c1-5-17-40-32-28(34(3)31(38)39-4)20-26(33-41-6-2)24-18-21(11-7-9-15-35)23(12-8-10-16-36)29(30(24)32)25-19-22(37)13-14-27(25)42-32/h5,13-14,18-19,21,23,28-30,35-37H,1,6-12,15-17,20H2,2-4H3
C32H46N2O8586.71622100
4477668

4 of 13 defined stereocentres - 4/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18?,19?,21-,22-,23?,24?,25?,26?,28?,29-,30+,31?,32?/m0/s1
C32H46N2O8586.71622200
4477674

6 of 13 defined stereocentres - 6/13 defined
InChI=1/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18?,19?,21-,22-,23?,24-,25?,26-,28?,29-,30+,31?,32?/m0/s1
C32H46N2O8586.71622200
123

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