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

Systemtic Name: potassium sodium 3-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonate Openeye Name: potassium sodium 3-(4-amino-5-methoxy-2-methyl-phenyl)azonaphthalene-1,5-disulfonate CAS Name: potassium sodium 3-(4-amino-5-methoxy-2-methylphenyl)azonaphthalene-1,5-disulfonate IUPAC Name: potassium sodium 3-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonate Traditional Name: potassium sodium 3-(4-amino-5-methoxy-2-methyl-phenyl)azonaphthalene-1,5-disulfonate Formula: C18H15KN3NaO7S2 MolecularWeight: 511.54567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[K+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[K+]

InChI

InChI=1S/C18H17N3O7S2.K.Na/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2