5-acetamido-2-[(4-dimethylaminophenyl)diazenyl]benzene-1,3-disulfonic acid

Systemtic Name: 5-acetamido-2-[(4-dimethylaminophenyl)diazenyl]benzene-1,3-disulfonic acid Openeye Name: 5-acetamido-2-(4-dimethylaminophenyl)azo-benzene-1,3-disulfonic acid CAS Name: 5-acetamido-2-(4-dimethylaminophenyl)azobenzene-1,3-disulfonic acid IUPAC Name: 5-acetamido-2-[(4-dimethylaminophenyl)diazenyl]benzene-1,3-disulfonic acid Traditional Name: 5-acetamido-2-(4-dimethylaminophenyl)azo-benzene-1,3-disulfonic acid Formula: C16H18N4O7S2 MolecularWeight: 442.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=CC=C(C=C2)N(C)C)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=CC=C(C=C2)N(C)C)S(=O)(=O)O

InChI

InChI=1S/C16H18N4O7S2/c1-10(21)17-12-8-14(28(22,23)24)16(15(9-12)29(25,26)27)19-18-11-4-6-13(7-5-11)20(2)3/h4-9H,1-3H3,(H,17,21)(H,22,23,24)(H,25,26,27)