disodium (3Z)-3-[[3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-6-phenylazanyl-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-3-[[3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-6-phenylazanyl-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-6-anilino-3-[[3-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-6-anilino-3-[[3-methyl-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-6-anilino-3-[[3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-6-anilino-4-keto-3-[[3-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C29H21N5Na2O7S2 MolecularWeight: 661.61588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NN=C2C(=CC3=C(C2=O)C=C(C=C3)NC4=CC=CC=C4)S(=O)(=O)[O-])N=NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N/N=C/2\C(=CC3=C(C2=O)C=C(C=C3)NC4=CC=CC=C4)S(=O)(=O)[O-])N=NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C29H23N5O7S2.2Na/c1-18-15-23(11-14-26(18)33-31-21-9-12-24(13-10-21)42(36,37)38)32-34-28-27(43(39,40)41)16-19-7-8-22(17-25(19)29(28)35)30-20-5-3-2-4-6-20;;/h2-17,30,32H,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-31?,34-28+;;