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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H22N4O10S3.2Na/c1-14-8-9-18(40(32,33)29-17-6-4-3-5-7-17)12-20(14)27-28-24-22(42(37,38)39)11-16-10-19(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+;;