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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 63 results

Search term: C33H40N2O9 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5566


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
C33H40N2O9608.678714129410784252
4642389

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1
C33H40N2O9608.6787383702
64824

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1
C33H40N2O9608.6787273215319410
21341058

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25?,26?
C33H40N2O9608.67879500
22875045

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25-,26-
C33H40N2O9608.67878400
28528511

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m0/s1
C33H40N2O9608.67877600
166294

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27?,28+,31+/m1/s1
C33H40N2O9608.67877400
5036478

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m0/s1
C33H40N2O9608.67875500
8614101

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H40N2O9/c36-27-11-7-6-10-26(27)32-25(9-3-1-4-12-30(37)38)22-43-31(44-32)13-5-2-8-19-41-29-21-24(33(39)40)14-15-28(29)42-20-18-35-17-16-34-23-35/h1,3,6-7,10-11,14-17,21,23,25,31-32,36H,2,4-5,8-9,12-13,18-20,22H2,(H,37,38)(H,39,40)/b3-1-/t25-,31+,32+/m1/s1
C33H40N2O9608.67875400
10082916

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22-,24+,27-,28+,31+/m1/s1
C33H40N2O9608.67874300
21242784

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18?,22?,24?,27-,28+,31+/m1/s1
C33H40N2O9608.67874510250195
4483648

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27+,28-,31+/m1/s1
C33H40N2O9608.67874200
5036288

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22-,24-,27+,28+,31-/m0/s1
C33H40N2O9608.67873300
291127

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C33H40N2O9/c1-32(42)12-14-10-16-21(26(38)20(14)18(13-32)34-15-8-6-5-7-9-15)27(39)22-19(36)11-17-29(23(22)25(16)37)43-31-28(40)24(35(3)4)30(41)33(17,2)44-31/h10-11,15,18,24,28,30-31,34,36,38,40-42H,5-9,12-13H2,1-4H3
C33H40N2O9608.67873200
3069882

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3
C33H40N2O9608.67873200
10062399

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27+,28+,31+/m1/s1
C33H40N2O9608.67873100
10082914

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22-,24-,27-,28+,31+/m1/s1
C33H40N2O9608.67872100
5154232

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H40N2O9/c1-41-27-14-21(17-37)12-22-29-23(33(40)34-10-11-36)15-24(30(39)32(29)44-31(22)27)35(28(38)9-7-19-4-2-3-5-19)16-20-6-8-25-26(13-20)43-18-42-25/h6,8,12-15,19,24,29-30,32,36-37,39H,2-5,7,9-11,16-18H2,1H3,(H,34,40)/t24-,29+,30+,32+/m1/s1
C33H40N2O9608.67872100
3439348

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H40N2O9/c1-4-5-6-7-12-35(33(40)26-16-20-9-8-10-24(41-2)29(20)43-26)23-17-22(32(39)34-11-13-36)27-21-14-19(18-37)15-25(42-3)30(21)44-31(27)28(23)38/h8-10,14-17,23,27-28,31,36-38H,4-7,11-13,18H2,1-3H3,(H,34,39)
C33H40N2O9608.6786999999982100
4977770

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H40N2O9/c1-19(2)31(38)44-29-22(5)43-33(40)25(18-42-32(39)24(29)17-23-10-8-7-9-11-23)21(4)16-20(3)12-14-35-30(37)27-28(36)26(41-6)13-15-34-27/h7-13,15-16,19,22,24-25,29,36H,14,17-18H2,1-6H3,(H,35,37)/b20-12+,21-16u
C33H40N2O9608.67872200
1234

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