| SpectraBase Spectrum ID |
EPTQkpcrHzl |
| Name |
3-(4-(4-chlorophenylsulfonamido)butyl)-6-(2,2-dimethyl-1,3-dioxan-5-yl)azulene-1-carboxylic acid |
| Alternate Name(s) |
3-[4-(4-chlorobenzenesulfonylamino)butyl]-6-(2,2-dimethyl-1,3-dioxane-5-yl)azulene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30ClNO6S |
| InChI |
InChI=1S/C27H30ClNO6S/c1-27(2)34-16-20(17-35-27)18-6-12-23-19(15-25(26(30)31)24(23)13-7-18)5-3-4-14-29-36(32,33)22-10-8-21(28)9-11-22/h6-13,15,20,29H,3-5,14,16-17H2,1-2H3,(H,30,31) |
| InChIKey |
GFDPLPNEADFXFC-UHFFFAOYSA-N |
| Molecular Weight |
532.051 g/mol |
| SMILES |
N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2c(c(C(=O)O)c1)ccc(cc2)C1COC(OC1)(C)C |
| SPLASH |
splash10-014i-0900000000-c2da16e5208dd02a6279 |
| Source of Spectrum |
G2-4-588-27 |
| Wiley ID |
1710534 |
