| SpectraBase Spectrum ID |
KHi2slnKBXh |
| Name |
2-Aceoxymethyl-3-bis(5-methylthien-2-yl)methyl-1-phenylsulfonylindole |
| Alternate Name(s) |
acetic acid [1-(benzenesulfonyl)-3-[bis(5-methyl-2-thiophenyl)methyl]-2-indolyl]methyl ester
[1-(benzenesulfonyl)-3-[bis(5-methylthiophen-2-yl)methyl]indol-2-yl]methyl acetate
[1-(benzenesulfonyl)-3-[bis(5-methyl-2-thienyl)methyl]indol-2-yl]methyl acetate
[3-[bis(5-methylthiophen-2-yl)methyl]-1-(phenylsulfonyl)indol-2-yl]methyl ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H25NO4S3 |
| InChI |
InChI=1S/C28H25NO4S3/c1-18-13-15-25(34-18)28(26-16-14-19(2)35-26)27-22-11-7-8-12-23(22)29(24(27)17-33-20(3)30)36(31,32)21-9-5-4-6-10-21/h4-16,28H,17H2,1-3H3 |
| InChIKey |
HLMRCGIFUYGQDW-UHFFFAOYSA-N |
| Molecular Weight |
535.691 g/mol |
| SMILES |
c1(S([n]2c(c(C(c3sc(C)cc3)c3sc(C)cc3)c3c2cccc3)COC(=O)C)(=O)=O)ccccc1 |
| SPLASH |
splash10-000i-0000090000-d730f083bb2a10fa1e31 |
| Source of Spectrum |
U1-2011-931-14 |
| Wiley ID |
1664928 |
