3-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(4-amino-2,5-dimethyl-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(4-amino-2,5-dimethylphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(4-amino-2,5-dimethylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(4-amino-2,5-dimethyl-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)C)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)C)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O6S2/c1-10-7-16(11(2)6-15(10)19)21-20-12-8-14-13(18(9-12)29(25,26)27)4-3-5-17(14)28(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)