| SpectraBase Spectrum ID |
7kCcTruqqsf |
| Name |
3-(4-(4-chlorophenylsulfonamido)butyl)-6-(1,3-dihydroxypropan-2-yl)azulene-1-carboxylic acid |
| Alternate Name(s) |
3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2-hydroxy-1-hydroxymethyl)ethylazulene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H26ClNO6S |
| InChI |
InChI=1S/C24H26ClNO6S/c25-19-6-8-20(9-7-19)33(31,32)26-12-2-1-3-17-13-23(24(29)30)22-11-5-16(4-10-21(17)22)18(14-27)15-28/h4-11,13,18,26-28H,1-3,12,14-15H2,(H,29,30) |
| InChIKey |
CPFZACHJNFGZHS-UHFFFAOYSA-N |
| Molecular Weight |
491.986 g/mol |
| SMILES |
OCC(CO)c1ccc2c(cc(c2cc1)CCCCNS(c1ccc(cc1)Cl)(=O)=O)C(=O)O |
| SPLASH |
splash10-03di-0900000000-d6dbb072ff725ddb1a9e |
| Source of Spectrum |
G2-4-588-26 |
| Wiley ID |
1710535 |
