(4E)-4-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-dicarboxylic acid

Systemtic Name: (4E)-4-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-dicarboxylic acid Openeye Name: (4E)-4-[(4-methyl-2-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2,7-dicarboxylic acid CAS Name: (4E)-4-[(4-methyl-2-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-dicarboxylic acid IUPAC Name: (4E)-4-[(4-methyl-2-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-dicarboxylic acid Traditional Name: (4E)-3-keto-4-[(4-methyl-2-sulfo-phenyl)hydrazono]naphthalene-2,7-dicarboxylic acid Formula: C19H14N2O8S MolecularWeight: 430.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C3=C(C=C(C=C3)C(=O)O)C=C(C2=O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C3=C(C=C(C=C3)C(=O)O)C=C(C2=O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H14N2O8S/c1-9-2-5-14(15(6-9)30(27,28)29)20-21-16-12-4-3-10(18(23)24)7-11(12)8-13(17(16)22)19(25)26/h2-8,20H,1H3,(H,23,24)(H,25,26)(H,27,28,29)/b21-16+