| SpectraBase Spectrum ID |
3GT17Q5fZqE |
| Name |
1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-(propylthio)ethenyl]- |
| Alternate Name(s) |
2-(2'-[(N,N-dimethyl)aminoethyl]-4',5'-methylenedioxyphenyl)-1-(2''-carboxy-3'',4''-methyllenedioxyphenyl)-1-propylthioethene
5-[(E)-2-{6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}-1-(propylsulfanyl)ethenyl]-1,3-benzodioxole-4-carboxylic acid |
| CAS Registry Number |
110527-60-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27NO6S |
| InChI |
InChI=1S/C24H27NO6S/c1-4-9-32-21(17-5-6-18-23(31-14-28-18)22(17)24(26)27)12-16-11-20-19(29-13-30-20)10-15(16)7-8-25(2)3/h5-6,10-12H,4,7-9,13-14H2,1-3H3,(H,26,27)/b21-12+ |
| InChIKey |
LTDQHLIASOGVSG-CIAFOILYSA-N |
| Molecular Weight |
457.541 g/mol |
| SMILES |
OC(c1c(\C(=C/c2c(cc3c(c2)OCO3)CCN(C)C)SCCC)ccc2c1OCO2)=O |
| SPLASH |
splash10-0a4i-9011000000-576f7d5f264d0e6becbb |
| Source of Spectrum |
F-42-6025-9 |
| Wiley ID |
1389618 |
![1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-(propylthio)ethenyl]-](/api/spectrum/3GT17Q5fZqE/structure.png?h=300&w=458 "1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-(propylthio)ethenyl]-")
