N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate

Systemtic Name: N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate Openeye Name: N-[2-methyl-4-(3-methyl-4-sulfonatoazo-phenyl)phenyl]iminosulfamate CAS Name: N-[2-methyl-4-(3-methyl-4-sulfonatoazophenyl)phenyl]iminosulfamate IUPAC Name: N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate Traditional Name: N-[2-methyl-4-(3-methyl-4-sulfonatoazo-phenyl)phenyl]iminosulfamate Formula: C14H12N4O6S2-2 MolecularWeight: 396.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NS(=O)(=O)[O-])C)N=NS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NS(=O)(=O)[O-])C)N=NS(=O)(=O)[O-]

InChI

InChI=1S/C14H14N4O6S2/c1-9-7-11(3-5-13(9)15-17-25(19,20)21)12-4-6-14(10(2)8-12)16-18-26(22,23)24/h3-8H,1-2H3,(H,19,20,21)(H,22,23,24)/p-2