CAS Registry Number: 62592-39-6

Name:

Benzenesulfonic acid, 4-​[(1,​3-​dioxobutyl)​amino]​-​5-​methoxy-​2-​methyl-
2-​Methoxy-​5-​methyl-​4-​sulfoacetoacetanilid​e 

Chemical Formula: C12H15NO6S
Exact Mass: 301.06
Molecular Weight: 301.32
m/z: 301.06 (100.0%), 302.07 (13.4%), 303.06 (4.7%), 303.07 (2.1%), 302.06 (1.2%)
Elemental Analysis: C, 47.83; H, 5.02; N, 4.65; O, 31.86; S, 10.64

InChI: InChI=1S/C12H15NO6S/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18)
InChIKey: YTSYXEDYBAQECZ-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)CC(=O)C

Specification

98%

PCT Int. Appl. (2006), WO 2006042801 A1 20060427.