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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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Found 121 results

Search term: C29H36O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14549

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3
C29H36O8512.59135711001
82914
InChI=1/C29H36O8/c1-5-27(30)36-21-17-32-15-19-34-25-11-7-23(8-12-25)29(3,4)24-9-13-26(14-10-24)35-20-16-33-18-22-37-28(31)6-2/h5-14H,1-2,15-22H2,3-4H3
C29H36O8512.5913131200
9930850

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H36O8/c1-17(30)35-23-11-12-26(4)28(32,25(23,2)3)14-13-27(5)29(26,33)16-20-22(37-27)15-21(36-24(20)31)18-7-9-19(34-6)10-8-18/h7-10,15,23,32-33H,11-14,16H2,1-6H3/t23-,26+,27-,28-,29+/m1/s1
C29H36O8512.59138800
439400
InChI=1/C29H36O8/c1-8-13-37-25(30)12-10-9-11-22(20-14-18(2)26(33-4)23(16-20)28(31)35-6)21-15-19(3)27(34-5)24(17-21)29(32)36-7/h11,14-17H,8-10,12-13H2,1-7H3
C29H36O8512.59137600
439403
InChI=1/C29H36O8/c1-17(2)37-25(30)12-10-9-11-22(20-13-18(3)26(33-5)23(15-20)28(31)35-7)21-14-19(4)27(34-6)24(16-21)29(32)36-8/h11,13-17H,9-10,12H2,1-8H3
C29H36O8512.59137600
93037

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18?,19?,20-,21-,22-,24+,27-,28-,29-/m0/s1
C29H36O8512.59135500
4953804

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19+,21+,25+,26-,28-,29?/m1/s1
C29H36O8512.59135400
23873976

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19?,21+,25+,26+,28-,29-/m1/s1
C29H36O8512.59135600
26341636

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H36O8/c1-7-9-16-12-28(34)14-20(26(3,4)32)36-24(28)18(22(16)30)11-19-23(31)17(10-8-2)13-29(35)15-21(27(5,6)33)37-25(19)29/h7-8,12-13,20-21,32-35H,1-2,9-11,14-15H2,3-6H3/t20-,21-,28+,29+/m1/s1
C29H36O8512.59135500
8967183
InChI=1/C29H36O8/c1-27(2,3)23(32)19-7-11-21(12-8-19)25(34)36-17-29(15-30,16-31)18-37-26(35)22-13-9-20(10-14-22)24(33)28(4,5)6/h7-14,30-31H,15-18H2,1-6H3
C29H36O8512.59134300
2278727
InChI=1/C29H36O8/c1-8-36-26-18(3)14-20(16-23(26)28(31)34-6)22(12-10-11-13-25(30)33-5)21-15-19(4)27(37-9-2)24(17-21)29(32)35-7/h12,14-17H,8-11,13H2,1-7H3
C29H36O8512.591344400
4952876

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19?,20?,21-,22-,23?,26?,27?,28-,29+/m1/s1
C29H36O8512.59134400
9278390

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H36O8/c1-32-24-10-4-21(5-11-24)17-35-20-27(31)29(37-19-23-8-14-26(34-3)15-9-23)28(16-30)36-18-22-6-12-25(33-2)13-7-22/h4-15,27-31H,16-20H2,1-3H3/t27-,28+,29-/m1/s1
C29H36O8512.59134200
8848674
InChI=1/C29H36O8/c1-2-3-4-5-6-11-16-29(37-21-28(30)31)22-35-26-14-9-7-12-24(26)33-19-17-32-18-20-34-25-13-8-10-15-27(25)36-23-29/h7-10,12-15H,2-6,17-23H2,1H3,(H,30,31)
C29H36O8512.59133300
9071784

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O8/c1-5-9-22-24(13-11-21(18(2)30)28(22)32)35-14-7-6-8-15-36-27-17-26-20(16-23(27)19(3)31)10-12-25(37-26)29(33)34-4/h11,13,16-17,25,32H,5-10,12,14-15H2,1-4H3
C29H36O8512.59133100
9137517

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H36O8/c1-20(30)36-29-26(37-27-6-4-5-17-33-27)16-15-25(34-18-21-7-11-23(31-2)12-8-21)28(29)35-19-22-9-13-24(32-3)14-10-22/h7-16,25-29H,4-6,17-19H2,1-3H3/t25-,26-,27?,28+,29+/m0/s1
C29H36O8512.59133100
14730169

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O8/c1-4-9-22-24(13-11-21(18(2)30)28(22)32)35-14-7-5-6-8-15-36-27-17-26-20(16-23(27)19(3)31)10-12-25(37-26)29(33)34/h11,13,16-17,25,32H,4-10,12,14-15H2,1-3H3,(H,33,34)
C29H36O8512.59133300
23148089

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O8/c1-5-9-22-24(11-10-21(18(2)30)27(22)32)35-14-7-6-8-15-36-26-17-25-20(16-23(26)19(3)31)12-13-29(4,37-25)28(33)34/h10-11,16-17,32H,5-9,12-15H2,1-4H3,(H,33,34)
C29H36O8512.59133300
30825500

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H36O8/c1-14-23-24(36-20-12-19(31)26(3,4)18(27(20,23)5)11-22(32)33-7)25(35-15(2)30)28(6)17(16-8-9-34-13-16)10-21-29(14,28)37-21/h8-9,13,17-18,20-21,23-25H,1,10-12H2,2-7H3/t17-,18-,20-,21+,23+,24+,25-,27+,28+,29+/m0/s1
C29H36O8512.59133300
34249416

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H36O8/c1-14-12-29-25(35-17(4)30)15(2)13-28(29,37-29)24(33)16(3)22(32)19-20(27(19,5)6)23(21(14)31)36-26(34)18-10-8-7-9-11-18/h7-12,15-16,19-23,25,31-32H,13H2,1-6H3/b14-12+/t15-,16+,19-,20+,21+,22-,23+,25-,28-,29-/m0/s1
C29H36O8512.59133300
12345

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