disodium 3-[(4-azanyl-2-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[(4-azanyl-2-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-(4-amino-2-methyl-phenyl)azonaphthalene-1,5-disulfonate CAS Name: disodium 3-(4-amino-2-methylphenyl)azonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-(4-amino-2-methyl-phenyl)azonaphthalene-1,5-disulfonate Formula: C17H13N3Na2O6S2 MolecularWeight: 465.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H15N3O6S2.2Na/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2