Catalog Number:
AG01EM30
Chemical Name:
4-methylbenzene-1-sulfonic acid, imino(phenyl)(prop-2-en-1-yl)-lambda6-sulfanone
CAS Number:
2137584-91-7
Molecular Formula:
C16H19NO4S2
Molecular Weight:
353.4564
MDL Number:
MFCD31457159
IUPAC Name:
imino-oxo-phenyl-prop-2-enyl-λ6-sulfane;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C9H11NOS.C7H8O3S/c1-2-8-12(10,11)9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10H,1,8H2;2-5H,1H3,(H,8,9,10)
InChI Key:
PQKWTTQHPFOPTP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.C=CCS(=O)(=N)c1ccccc1
