disodium (3Z)-5-acetamido-3-[[4-methyl-2-(phenylsulfonylamino)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-acetamido-3-[[4-methyl-2-(phenylsulfonylamino)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-acetamido-3-[[2-(benzenesulfonamido)-4-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-acetamido-3-[[2-(benzenesulfonamido)-4-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-acetamido-3-[[2-(benzenesulfonamido)-4-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-acetamido-3-[[2-(benzenesulfonamido)-4-methyl-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C25H20N4Na2O10S3 MolecularWeight: 678.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])NS(=O)(=O)C4=CC=CC=C4.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])NS(=O)(=O)C4=CC=CC=C4.[Na+].[Na+]

InChI

InChI=1S/C25H22N4O10S3.2Na/c1-14-8-9-19(20(10-14)29-40(32,33)17-6-4-3-5-7-17)27-28-24-22(42(37,38)39)12-16-11-18(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31;;/h3-13,27,29H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b28-24+;;