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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 126 results

Search term: C33H52O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4588502

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
C33H52O5528.763534600
29365016

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26?,27+,30-,31+,32-,33-/m0/s1
C33H52O5528.763161100
8825214

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26+,27+,30-,31+,32-,33-/m0/s1
C33H52O5528.763151200
28424523

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H52O5/c1-19-12-15-33(26(34)35)17-16-30(7)20(24(33)32(19,9)36)10-11-23-29(6)18-21-25(38-28(4,5)37-21)27(2,3)22(29)13-14-31(23,30)8/h10,19,21-25,36H,11-18H2,1-9H3,(H,34,35)/t19-,21-,22+,23-,24-,25-,29+,30-,31-,32-,33+/m1/s1
C33H52O5528.76314900
280037

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)
C33H52O5528.76313700
9310313

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H52O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21,23-26H,10-19H2,1-9H3/t21-,23-,24+,25-,26-,30-,31+,32+,33-/m0/s1
C33H52O5528.76312900
44209007

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C33H52O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21,23-26H,10-19H2,1-9H3/t21-,23?,24?,25-,26-,30-,31+,32+,33-/m0/s1
C33H52O5528.763101000
29211961

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C33H52O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21,23-26H,10-19H2,1-9H3/t21-,23?,24?,25+,26+,30+,31-,32-,33+/m1/s1
C33H52O5528.7639800
22871811

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C33H52O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h23-28H,9-19H2,1-8H3/t23-,24+,25?,26?,27-,28?,30-,31+,32+,33+/m0/s1
C33H52O5528.7637400
116386

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H52O5/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-24-19-29(34)23(16-18-38-31(37)14-13-30(35)36)20-33(24,5)28(25)15-17-32(26,27)4/h19,21-23,25-28H,6-18,20H2,1-5H3,(H,35,36)/t22-,23-,25+,26-,27+,28+,32-,33+/m1/s1
C33H52O5528.7636500
2978736

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H52O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h23-28H,9-19H2,1-8H3
C33H52O5528.762985300
3410874

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C33H52O5/c1-19-10-15-33(28(36)37-9)17-16-32(8)27(26(33)20(19)2)22(35)18-24-30(6)13-12-25(38-21(3)34)29(4,5)23(30)11-14-31(24,32)7/h19-20,23-27H,10-18H2,1-9H3
C33H52O5528.762985300
8657472

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O5/c1-20(2)21-11-16-33(28(36)38-19-26(35)37-8)18-17-31(6)22(27(21)33)9-10-24-30(5)14-13-25(34)29(3,4)23(30)12-15-32(24,31)7/h21-25,27,34H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,27+,30-,31+,32+,33-/m0/s1
C33H52O5528.7635400
8849085

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C33H52O5/c1-19(2)20(3)21(4)29(37-23(6)35)32(9)33(38-32)17-14-28-26-11-10-24-18-25(36-22(5)34)12-15-30(24,7)27(26)13-16-31(28,33)8/h10,19-21,25-29H,11-18H2,1-9H3/t20?,21?,25-,26+,27-,28-,29?,30-,31-,32-,33-/m0/s1
C33H52O5528.7634300
8991318

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H52O5/c1-19(2)20(3)9-10-21(4)23-13-14-30(7)24-11-12-25-31(8,28(36)37)26(35)17-27(38-22(5)34)33(25)18-32(24,33)16-15-29(23,30)6/h19,21,23-27,35H,3,9-18H2,1-2,4-8H3,(H,36,37)/t21-,23-,24+,25+,26+,27+,29-,30+,31+,32+,33-/m1/s1
C33H52O5528.7634300
433002

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C33H52O5/c1-19-12-17-33(28(36)37-9)18-25(35)32(8)22(27(33)20(19)2)10-11-24-30(6)15-14-26(38-21(3)34)29(4,5)23(30)13-16-31(24,32)7/h10,19-20,23-27,35H,11-18H2,1-9H3
C33H52O5528.7634300
433740

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H52O5/c1-21-23(35)9-10-25-30(5)16-18-32(7)26-19-29(4,27(36)37-8)14-13-28(26,3)15-17-31(32,6)24(30)11-12-33(21,25)20-38-22(2)34/h21,24-26H,9-20H2,1-8H3
C33H52O5528.7634300
9780941

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C33H52O5/c1-19(21(3)29(36)37)10-11-20(2)23-14-17-32(8)24-12-13-26-30(5,6)28(38-22(4)34)15-16-31(26,7)25(24)18-27(35)33(23,32)9/h20-21,23,26-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,21-,23+,26?,27-,28+,31+,32-,33-/m0/s1
C33H52O5528.7634300
9974986

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H52O5/c1-20(34)38-26-13-14-30(6)23(29(26,4)5)12-15-31(7)24(30)11-10-21-22-18-28(2,3)16-17-33(22,27(36)37-9)25(35)19-32(21,31)8/h10,22-26,35H,11-19H2,1-9H3/t22-,23+,24-,25-,26+,30+,31-,32-,33-/m1/s1
C33H52O5528.7634300
17461864

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C33H52O5/c1-7-29(34)36-19-20(3)9-12-27-21(4)31-28(38-27)18-26-24-11-10-22-17-23(37-30(35)8-2)13-15-32(22,5)25(24)14-16-33(26,31)6/h20,22-26,28,31H,7-19H2,1-6H3/t20?,22-,23?,24?,25?,26?,28?,31?,32-,33-/m0/s1
C33H52O5528.7634100
12345

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