CAS Registry Number: 51904-91-7

Name:

Benzoic acid, 5-​(chlorosulfonyl)​-​2-​methoxy-
2-​Methoxy-​5-​chlorosulfonylbenzoi​c acid; 3-​Carboxy-​4-​methoxybenzenesulfon​yl chloride; 5-​(Chlorosulfonyl)​-​2-​(methyloxy)​benzoic acid; 5-​(Chlorosulfonyl)​-​o-​anisic acid; 5-​Chlorosulfonyl-​2-​methoxybenzoic acid 

Chemical Formula: C8H7ClO5S
Exact Mass: 249.97
Molecular Weight: 250.66
m/z: 249.97 (100.0%), 251.97 (37.6%), 250.97 (9.6%), 252.97 (3.5%), 253.96 (1.4%)
Elemental Analysis: C, 38.33; H, 2.81; Cl, 14.14; O, 31.92; S, 12.79

InChI: InChI=1S/C8H7ClO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: OUBZCDOQEMLMAB-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

Specification

98%

(1) Harrold, Marc W.; Journal of Medicinal Chemistry 1989, V32(4), P874-8 CAPLUS