C15H14N4O13S2

4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid

Also Known As: EINECS 201-819-8|3,3'-(Carbonyldiimino)bis(4-methoxy-6-nitrobenzenesulphonic) acid|3,3'-(Carbonyldiimino)bis[4-methoxy-6-nitrobenzenesulphonic] acid|4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid|4-Methoxy-5-{[(2-methoxy-3-nitro-5-sulfophenyl)carbamoyl]amino}-2-nitrobenzene-1-sulfonic acid

Molecular Formula	C15H14N4O13S2
Molecular Weight	521.9999 g/mol
LogP	1.66
Topological Polar Surface Area	254.61 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	521.9999
Heavy Atoms	34
Complexity	1403.9

Chemical Identifiers

CAS Number	88-31-3
SMILES	COC1=CC(=C(C=C1NC(=O)NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])OC)S(=O)(=O)O)[N+](=O)[O-]