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

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isocyanato-benzene-1,3-disulfonic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-5-isocyanato-benzene-1,3-disulfonic acid CAS Name: 2-(4-dimethylaminophenyl)azo-5-isocyanatobenzene-1,3-disulfonic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isocyanatobenzene-1,3-disulfonic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-5-isocyanato-benzene-1,3-disulfonic acid Formula: C15H14N4O7S2 MolecularWeight: 426.42426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2S(=O)(=O)O)N=C=O)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2S(=O)(=O)O)N=C=O)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O7S2/c1-19(2)12-5-3-10(4-6-12)17-18-15-13(27(21,22)23)7-11(16-9-20)8-14(15)28(24,25)26/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26)