CAS Registry Number: 88899-85-8

Name:

2-​Propenoic acid, 3-​[4-​(methylsulfonyl)​phenyl]​-​, (2E)​-
2-​Propenoic acid, 3-​[4-​(methylsulfonyl)​phenyl]​-​, (E)​-; (E)​-​3-​(4-​Methanesulfonylpheny​l)​acrylic acid; (E)​-​3-​[4-​(Methylsulfonyl)​phenyl]​propenic acid; AN 20537 

Chemical Formula: C10H10O4S
Exact Mass: 226.03
Molecular Weight: 226.25
m/z: 226.03 (100.0%), 227.03 (11.8%), 228.03 (5.4%)

InChI: InChI=1S/C10H10O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChIKey: UDUXYCSLRYYQNS-QPJJXVBHSA-N
Canonical SMILES : CS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES: CS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)O

Specification

98%

1. (1) Wu, Guangzhong; Journal of Organic Chemistry 1997, V62(9), P2996-2998 CAPLUS