| SpectraBase Spectrum ID |
ApI3PiKODRy |
| Name |
3-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.191900350 u |
| Formula |
C25H29NO2S |
| InChI |
InChI=1S/C25H29NO2S/c1-4-5-10-20(2)11-6-7-12-22-19-26(25-14-9-8-13-24(22)25)29(27,28)23-17-15-21(3)16-18-23/h6-9,13-19H,2,4-5,10-12H2,1,3H3/b7-6- |
| InChIKey |
NIAIHPWABQTCJX-SREVYHEPSA-N |
| Molecular Weight |
407.572 g/mol |
| SMILES |
C=1(C2=C(N(S(C3=CC=C(C=C3)C)(=O)=O)C1)C=CC=C2)C\C=C/CC(=C)CCCC |
![3-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indole](/api/spectrum/ApI3PiKODRy/structure.png?h=300&w=458 "3-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indole")
