sodium (3E)-7-[(3,4-dimethoxyphenyl)carbonylamino]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (3E)-7-[(3,4-dimethoxyphenyl)carbonylamino]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (3E)-7-[(3,4-dimethoxybenzoyl)amino]-3-[(4-methoxyphenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: sodium (3E)-7-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium (3E)-7-[(3,4-dimethoxybenzoyl)amino]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: sodium (3E)-4-keto-3-[(4-methoxyphenyl)hydrazono]-7-(veratroylamino)naphthalene-2-sulfonate Formula: C26H22N3NaO8S MolecularWeight: 559.52295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H23N3O8S.Na/c1-35-19-8-5-17(6-9-19)28-29-24-23(38(32,33)34)14-16-12-18(7-10-20(16)25(24)30)27-26(31)15-4-11-21(36-2)22(13-15)37-3;/h4-14,28H,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/b29-24-;