3-[(2,4-dimethylphenyl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(2,4-dimethylphenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(2,4-dimethylphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2,4-dimethylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(2,4-dimethylphenyl)azonaphthalene-1,5-disulfonic acid Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C18H16N2O6S2/c1-11-6-7-16(12(2)8-11)20-19-13-9-15-14(18(10-13)28(24,25)26)4-3-5-17(15)27(21,22)23/h3-10H,1-2H3,(H,21,22,23)(H,24,25,26)