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

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isothiocyanato-benzene-1,3-disulfonic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanato-benzene-1,3-disulfonic acid CAS Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanatobenzene-1,3-disulfonic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-5-isothiocyanatobenzene-1,3-disulfonic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-5-isothiocyanato-benzene-1,3-disulfonic acid Formula: C15H14N4O6S3 MolecularWeight: 442.48986

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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=S)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=S)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O6S3/c1-19(2)12-5-3-10(4-6-12)17-18-15-13(27(20,21)22)7-11(16-9-26)8-14(15)28(23,24)25/h3-8H,1-2H3,(H,20,21,22)(H,23,24,25)