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

Systemtic Name: sodium (3Z)-6-azanyl-3-[(2-butoxy-4-phenyldiazenyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (3Z)-6-amino-3-[(2-butoxy-4-phenylazo-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: sodium (3Z)-6-amino-3-[(2-butoxy-4-phenyldiazenylphenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-6-amino-3-[(2-butoxy-4-phenyldiazenylphenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: sodium (3Z)-6-amino-3-[(2-butoxy-4-phenylazo-phenyl)hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C26H24N5NaO5S MolecularWeight: 541.55403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C26H25N5O5S.Na/c1-2-3-13-36-23-16-20(29-28-19-7-5-4-6-8-19)11-12-22(23)30-31-25-24(37(33,34)35)14-17-9-10-18(27)15-21(17)26(25)32;/h4-12,14-16,30H,2-3,13,27H2,1H3,(H,33,34,35);/q;+1/p-1/b29-28?,31-25+;