disodium (3Z)-3-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-3-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-anilino-3-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-anilino-3-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-anilino-3-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-anilino-4-keto-3-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C30H23N5Na2O8S2 MolecularWeight: 691.64186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H25N5O8S2.2Na/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20;;/h3-17,31,34H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b33-32?,35-29+;;