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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 133 results

Search term: C29H36O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28425481

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H36O9/c1-15-18-8-10-27(5)24(17-9-11-35-14-17)37-21(32)13-29(15,27)38-20-12-19(31)26(3,4)23(28(18,20)6)22(25(33)34-7)36-16(2)30/h9,11,14,18,20,22-24H,1,8,10,12-13H2,2-7H3/t18-,20-,22-,23-,24-,27-,28-,29-/m0/s1
C29H36O9528.590713800
5142836
InChI=1/C29H36O9/c1-4-6-8-10-20(30)12-18-14-22(32)16-24(33)26(18)29(36)38-23-15-19(13-21(31)11-9-7-5-2)27(28(34)35)25(17-23)37-3/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)
C29H36O9528.59078700
22913371

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H36O9/c1-15-18-8-10-27(5)24(17-9-11-35-14-17)37-21(32)13-29(15,27)38-20-12-19(31)26(3,4)23(28(18,20)6)22(25(33)34-7)36-16(2)30/h9,11,14,18,20,22-24H,1,8,10,12-13H2,2-7H3/t18-,20-,22+,23-,24-,27-,28-,29-/m0/s1
C29H36O9528.59077600
4515470

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5-,19-13-
C29H36O9528.59077900
5140926

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H36O9/c1-15-18-8-10-27(5)24(17-9-11-35-14-17)37-21(32)13-29(15,27)38-20-12-19(31)26(3,4)23(28(18,20)6)22(25(33)34-7)36-16(2)30/h9,11,14,18,20,22-24H,1,8,10,12-13H2,2-7H3/t18?,20-,22?,23-,24-,27-,28-,29-/m0/s1
C29H36O9528.59076500
8896264

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O9/c1-16(30)36-23-14-22(31)27(5)28(33,25(23,2)3)12-11-26(4)29(27,34)15-19-21(38-26)13-20(37-24(19)32)17-7-9-18(35-6)10-8-17/h7-10,13,22-23,31,33-34H,11-12,14-15H2,1-6H3/t22-,23+,26+,27-,28+,29+/m0/s1
C29H36O9528.59076500
16736977

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25+,26+,27+,28+,29+/m0/s1
C29H36O9528.59076700
9181115
InChI=1/C29H36O9/c1-4-6-8-10-20(30)12-18-15-23(17-24(32)26(18)28(34)35)38-29(36)27-19(13-21(31)11-9-7-5-2)14-22(37-3)16-25(27)33/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)
C29H36O9528.59075300
9401367

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(37-15(2)30)29(21,36)25(27)35)26(3,4)22(32)20(23(28)33)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1
C29H36O9528.59075400
8159995

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H36O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,22,30,32-33H,10-11,15H2,1-7H3/t22-,26-,27+,28-,29-/m1/s1
C29H36O9528.59075400
8182717

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H36O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h12-14,32-33H,8-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
C29H36O9528.59075400
8228217

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H36O9/c1-12-8-18(30)24(33)27(3)17(12)10-19-28-11-36-29(35,26(27)28)23(32)13(2)21(28)22(25(34)37-19)38-20(31)9-16(14-4-5-14)15-6-7-15/h8-9,13-15,17,19,21-24,26,32-33,35H,4-7,10-11H2,1-3H3/t13-,17+,19-,21-,22-,23-,24-,26-,27-,28+,29-/m1/s1
C29H36O9528.59074300
10265654

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H36O9/c1-15-18-8-10-27(5)24(17-9-11-35-14-17)37-21(32)13-29(15,27)38-20-12-19(31)26(3,4)23(28(18,20)6)22(25(33)34-7)36-16(2)30/h9,11,14,18,20,22-24H,1,8,10,12-13H2,2-7H3/t18-,20-,22?,23-,24-,27-,28-,29-/m0/s1
C29H36O9528.59074400
4585405

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H36O9/c1-16-11-22(31)32-14-28-10-9-26(3)24(38-26)25(28)37-20-13-19(27(28,4)29(20)15-33-29)36-21(30)8-6-5-7-18-17(2)34-23(12-16)35-18/h5-8,11,17-20,23-25H,9-10,12-15H2,1-4H3/b7-5-,8-6-,16-11-
C29H36O9528.59074400
5140700

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C29H36O9/c1-15(30)37-25-26(2,3)20(12-21(31)35-6)28(5)18-7-9-27(4)19(17(18)13-29(25,34)24(28)33)11-22(32)38-23(27)16-8-10-36-14-16/h8,10,13-14,18-20,23,25,34H,7,9,11-12H2,1-6H3/t18?,19?,20-,23-,25?,27+,28+,29-/m0/s1
C29H36O9528.59074300
23310449

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H36O9/c1-15-18-12-27(5)25(17-8-9-35-14-17)37-23(32)13-29(15,27)38-21-11-20(36-16(2)30)26(3,4)19(10-22(31)34-7)28(21,6)24(18)33/h8-9,14,18-21,25H,1,10-13H2,2-7H3/t18-,19-,20+,21-,25-,27-,28+,29-/m0/s1
C29H36O9528.59073300
24818462

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,24-25,32H,7,9,11-12H2,1-6H3/t17-,18?,21?,22+,24+,25+,28-,29-/m1/s1
C29H36O9528.59073400
32033754

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H36O9/c1-15(30)37-25-20-10-17-18(28(4)21(12-22(31)34-5)27(25,3)14-36-29(20,28)33)6-8-26(2)19(17)11-23(32)38-24(26)16-7-9-35-13-16/h7,9,13,18,20-21,24-25,33H,6,8,10-12,14H2,1-5H3/t18-,20-,21-,24-,25+,26+,27-,28+,29+/m0/s1
C29H36O9528.59073300
71048819

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O9/c1-13(2)8-20(31)35-12-16-15-9-21(32)38-27(4,5)17(15)10-19(30)29(7)18(16)11-28(6)23-22(29)24(33)14(3)36-25(23)37-26(28)34/h10,13-14,18,22-23,25H,8-9,11-12H2,1-7H3/t14-,18+,22+,23-,25-,28-,29-/m1/s1
C29H36O9528.59073300
10222045

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1
C29H36O9528.59073336
12345

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