sodium (3Z)-6-azanyl-4-oxidanylidene-3-[(4-phenyldiazenyl-2-propoxy-phenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: sodium (3Z)-6-azanyl-4-oxidanylidene-3-[(4-phenyldiazenyl-2-propoxy-phenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3Z)-6-amino-4-oxo-3-[(4-phenylazo-2-propoxy-phenyl)hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z)-6-amino-4-oxo-3-[(4-phenyldiazenyl-2-propoxyphenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-6-amino-4-oxo-3-[(4-phenyldiazenyl-2-propoxyphenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3Z)-6-amino-4-keto-3-[(4-phenylazo-2-propoxy-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C25H22N5NaO5S MolecularWeight: 527.52745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N=NC2=CC=CC=C2)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H23N5O5S.Na/c1-2-12-35-22-15-19(28-27-18-6-4-3-5-7-18)10-11-21(22)29-30-24-23(36(32,33)34)13-16-8-9-17(26)14-20(16)25(24)31;/h3-11,13-15,29H,2,12,26H2,1H3,(H,32,33,34);/q;+1/p-1/b28-27?,30-24+;