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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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Single/Multi-component
Isotopically Labeled
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Found 114 results

Search term: C29H40O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
15326

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
C29H40O9532.62252124046
390425

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1
C29H40O9532.6225151600
10292586

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.6225121900
8090666

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62257500
4444862

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.6224999999997700
27959

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3
C29H40O9532.622571100
2032909

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21-12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14,36-17(4)32)24(29)38-26(7,8)37-21/h18-22,24H,1,10-13H2,2-9H3/t18?,19?,20-,21-,22?,24?,27+,28-,29?/m1/s1
C29H40O9532.6224999999996400
2032911

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H40O9/c1-14-23(33)29-21(36-17(4)32)12-19-25(5,6)11-10-20(35-16(3)31)27(19,9)22(29)18(34-15(2)30)13-28(14)24(29)37-26(7,8)38-28/h18-22,24H,1,10-13H2,2-9H3/t18?,19?,20-,21-,22?,24?,27+,28-,29?/m1/s1
C29H40O9532.6224999999996400
4944809

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21+,22-,23-,24-,27-,28-,29+/m1/s1
C29H40O9532.62256713
9802691

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H40O9/c1-6-8-9-10-19-11-17-12-20(30)24(26(32)33)25-23(17)21(37-19)14-29(38-25)16(3)18(15-36-29)13-22(31)28(4,7-2)27(34)35-5/h12,16,18-19,21,30H,6-11,13-15H2,1-5H3,(H,32,33)/t16-,18+,19-,21+,28?,29+/m1/s1
C29H40O9532.62256600
16738380

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62255700
20567916

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H40O9/c1-27-13-20(30)22(38-26-25(33)21(35-3)7-9-36-26)11-16(27)4-5-18-19(27)12-23(31)28(2)17(6-8-29(18,28)34)15-10-24(32)37-14-15/h10-11,17-22,25-26,30,33-34H,4-9,12-14H2,1-3H3/t17-,18-,19+,20-,21+,22-,25+,26+,27+,28+,29+/m1/s1
C29H40O9532.62255600
24642327

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.62255500
28286696

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H40O9/c1-6-8-9-10-19-11-17-12-20(30)24(26(32)33)25-23(17)21(37-19)14-29(38-25)16(3)18(15-36-29)13-22(31)28(4,7-2)27(34)35-5/h12,16,18-19,21,30H,6-11,13-15H2,1-5H3,(H,32,33)/t16-,18+,19+,21-,28-,29-/m0/s1
C29H40O9532.62255700
4519365

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-
C29H40O9532.62255600
252210

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H40O9/c1-15-9-21(31)25(34)26(37-15)38-23-11-17-3-4-20-19(28(17,14-30)12-22(23)32)5-7-27(2)18(6-8-29(20,27)35)16-10-24(33)36-13-16/h10,14-15,17-23,26,31-32,35H,3-9,11-13H2,1-2H3/t15?,17-,18?,19-,20+,21?,22+,23+,26?,27+,28+,29-/m0/s1
C29H40O9532.62254300
343991

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H40O9/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/h5,9,11,15-16,18-22,24-25,31,33-35H,3-4,6-8,10,12-14H2,1-2H3/t16?,18-,19-,20-,21+,22?,24?,25?,26+,27-,28-,29-/m0/s1
C29H40O9532.62254300
90615930

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H40O9/c1-16(31)37-19-11-13-29(15-30)17(24(19,2)3)10-12-25(4)18(29)14-26(5)27(6,20(25)21(32)35-8)22(33)28(7,38-26)23(34)36-9/h14-15,17,19-20H,10-13H2,1-9H3
C29H40O9532.62254300
4945005

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62254300
8500236

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H40O9/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/h5,9,11,15-16,18-22,24-25,31,33-35H,3-4,6-8,10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25+,26-,27+,28+,29+/m1/s1
C29H40O9532.62254300
12345

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