CAS Registry Number:27655-40-9
Name:

isoquinoline-5-sulfonic acid

5-Sulfoisoquinoline  

Chemical Formula: C9H7NO3S
Exact Mass: 209.01
Molecular Weight: 209.22
m/z: 209.01 (100.0%), 210.02 (9.9%), 211.01 (4.5%), 211.02 (1.2%), 210.01 (1.2%)

InChI
InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)
InChI Key
YFMJTLUPSMCTOQ-UHFFFAOYSA-N
Canonical SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)O

Specification

98%

Faming Zhuanli Shenqing (2018), CN 107778231 A 20180309

Angewandte Chemie, International Edition (2017), 56(5), 1396-1401