CAS Registry Number: 610801-83-7

Name:

2-​Propenoic acid, 3-​[3-​(chlorosulfonyl)​phenyl]​-​, methyl ester, (2E)​-
Methyl (E)​-​3-​[3-​(chlorosulfonyl)​phenyl]​-​2-​propenoate 

Chemical Formula: C10H9ClO4S
Exact Mass: 259.99
Molecular Weight: 260.69
m/z: 259.99 (100.0%), 261.99 (36.6%), 260.99 (11.6%), 262.99 (4.3%), 263.98 (1.4%), 262.00 (1.4%)

InChI: InChI=1S/C10H9ClO4S/c1-15-10(12)6-5-8-3-2-4-9(7-8)16(11,13)14/h2-7H,1H3/b6-5+
InChIKey: IRLXDBWFFKLKOD-AATRIKPKSA-N
Canonical SMILES : COC(=O)C=CC1=CC(=CC=C1)S(=O)(=O)Cl
Isomeric SMILES: COC(=O)/C=C/C1=CC(=CC=C1)S(=O)(=O)Cl

Specification

98%

1. (1) Finn, Paul W.; Helvetica Chimica Acta 2005, V88(7), P1630-1657 CAPLUS