disodium (3Z)-3-[(4-azanyl-2-methoxy-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-3-[(4-azanyl-2-methoxy-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate Openeye Name: disodium (3Z)-3-[(4-amino-2-methoxy-phenyl)hydrazono]-4-oxo-6-(3-sulfonatoanilino)naphthalene-2-sulfonate CAS Name: disodium (3Z)-3-[(4-amino-2-methoxyphenyl)hydrazinylidene]-4-oxo-6-(3-sulfonatoanilino)-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-3-[(4-amino-2-methoxyphenyl)hydrazinylidene]-4-oxo-6-(3-sulfonatoanilino)naphthalene-2-sulfonate Traditional Name: disodium (3Z)-3-[(4-amino-2-methoxy-phenyl)hydrazono]-4-keto-6-(3-sulfonatoanilino)naphthalene-2-sulfonate Formula: C23H18N4Na2O8S2 MolecularWeight: 588.52056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)NN=C2C(=CC3=C(C2=O)C=C(C=C3)NC4=CC(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N)N/N=C/2\C(=CC3=C(C2=O)C=C(C=C3)NC4=CC(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H20N4O8S2.2Na/c1-35-20-10-14(24)6-8-19(20)26-27-22-21(37(32,33)34)9-13-5-7-16(12-18(13)23(22)28)25-15-3-2-4-17(11-15)36(29,30)31;;/h2-12,25-26H,24H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b27-22+;;