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

Systemtic Name: disodium (3Z)-7-acetamido-3-[[2-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-acetamido-3-[[2-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-acetamido-3-[[2-methyl-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-acetamido-3-[[2-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-acetamido-4-keto-3-[[2-methyl-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C25H19N5Na2O8S2 MolecularWeight: 627.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC(=O)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H21N5O8S2.2Na/c1-14-11-19(28-27-17-3-7-20(8-4-17)39(33,34)35)6-10-22(14)29-30-24-23(40(36,37)38)13-16-12-18(26-15(2)31)5-9-21(16)25(24)32;;/h3-13,29H,1-2H3,(H,26,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b28-27?,30-24+;;