| SpectraBase Spectrum ID |
BuXHHPbQpY3 |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-85-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H23NO6S |
| InChI |
InChI=1S/C24H23NO6S/c1-14-7-9-16(10-8-14)32(30,31)25-13-20(17-5-3-4-6-21(17)25)18-11-15(2)12-19(23(26)27)22(18)24(28)29/h3-11,13,18-19,22H,12H2,1-2H3,(H,26,27)(H,28,29)/t18-,19-,22-/m0/s1 |
| InChIKey |
SOGXMVZJESILCC-IPJJNNNSSA-N |
| Molecular Weight |
453.509 g/mol |
| SMILES |
OC([C@]1(CC(=C[C@]([C@@]1(C(=O)O)[H])(c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1cccc2)[H])C)[H])=O |
| SPLASH |
splash10-001r-0801900000-cccbceb59495b8b40b2b |
| Source of Spectrum |
KC-1990-2491-13 |
| Synonyms |
(1RS,2SR,3SR)-5-methyl-3-(1'-tosylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylic acid
(1RS,2SR,8SR)-5-methyl-3-(1'-tosylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylic acid
(1S,2S,3R)-5-methyl-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-cyclohexene-1,2-dicarboxylic acid |
| Wiley ID |
1388494 |
![4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-](/api/spectrum/BuXHHPbQpY3/structure.png?h=300&w=458 "4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-")
