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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 127 results

Search term: C29H42O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390436

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
C29H42O9534.6384393693
17474181

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19+,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
C29H42O9534.6384151000
17460126

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20-,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
C29H42O9534.638411700
17466735

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17+,18+,19-,20?,21-,23-,24-,25-,26+,27-,28-,29+/m1/s1
C29H42O9534.63849600
22913897

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H42O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h3,11,17-21,23-26,30,32-35H,4-10,12-14H2,1-2H3/t17-,18+,19?,20+,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
C29H42O9534.63847400
156749

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H42O9/c1-7-17(2)26(33)38-22(21-12-25(32)34-14-21)13-27(6)18(3)11-24(37-20(5)31)29(16-35-19(4)30)23(27)9-8-10-28(29)15-36-28/h12,17-18,22-24H,7-11,13-16H2,1-6H3/t17-,18+,22-,23+,24-,27-,28?,29-/m0/s1
C29H42O9534.63846600
9459027

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17-,20-,22-,23+,24+,26+,27-,28-,29-/m0/s1
C29H42O9534.63845500
30791640

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1
C29H42O9534.63845500
57256978

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H42O9/c1-7-17(2)26(33)38-22(21-12-25(32)34-14-21)13-27(6)18(3)11-24(37-20(5)31)29(16-35-19(4)30)23(27)9-8-10-28(29)15-36-28/h12,17-18,22-24H,7-11,13-16H2,1-6H3/t17?,18-,22+,23-,24+,27+,28+,29+/m1/s1
C29H42O9534.63844200
21781489

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16?,18?,19?,20-,21+,22?,24?,25?,26?,27?,28?,29?/m0/s1
C29H42O9534.63844300
22370415

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H42O9/c1-9-15(3)11-12-28(8)17(5)23(32)24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)13-20(14-22(28)29)37-25(34)16(4)10-2/h9,13,16-17,20,22-24,26-27,32-33H,1,3,10-12,14H2,2,4-8H3
C29H42O9534.63844100
22912668

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-20(13-31)27(34)38-15-29(36)8-7-23(17(3)4)24-11-21(26(32)33)14-37-28(35)25(24)29/h9-11,16-17,19,22-25,30-31,36H,5-8,12-15H2,1-4H3,(H,32,33)/b20-10+
C29H42O9534.63844100
4267165

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3
C29H42O9534.6383799999994303
4946701

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H42O9/c1-10-16(3)25(32)37-29(38-26(33)17(4)11-2)14-27(8,35-19(6)30)21-13-12-18(5)22(21)23-24(29)28(9,15-34-23)36-20(7)31/h10,12,17,21-24H,11,13-15H2,1-9H3/b16-10+
C29H42O9534.63844500
8160205

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H42O9/c1-12(2)16(13(3)4)9-20(31)38-22-21-15(6)23(32)29(35)26-27(7)17(14(5)8-18(30)24(27)33)10-19(37-25(22)34)28(21,26)11-36-29/h8,12-13,15-17,19,21-24,26,32-33,35H,9-11H2,1-7H3/t15-,17+,19-,21-,22-,23-,24-,26-,27-,28+,29-/m1/s1
C29H42O9534.63844300
8205627

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17-,20+,22+,23+,24+,26+,27-,28-,29?/m0/s1
C29H42O9534.63843200
8251348

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17-,20-,22+,23+,24+,26+,27-,28-,29?/m0/s1
C29H42O9534.63843200
8635188

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17-,20-,22-,23+,24+,26+,27-,28-,29?/m0/s1
C29H42O9534.63843200
9366927

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H42O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1
C29H42O9534.63843200
17468321

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15?,17-,18+,19-,20+,21-,23?,24?,25?,26?,27-,28-,29+/m1/s1
C29H42O9534.63843100
12345

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