(4E)-4-[(5-chloranyl-4-methyl-2-sulfo-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylic acid

Systemtic Name: (4E)-4-[(5-chloranyl-4-methyl-2-sulfo-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: (4E)-4-[(5-chloro-4-methyl-2-sulfo-phenyl)hydrazono]-1-oxo-naphthalene-2-carboxylic acid CAS Name: (4E)-4-[(5-chloro-4-methyl-2-sulfophenyl)hydrazinylidene]-1-oxo-2-naphthalenecarboxylic acid IUPAC Name: (4E)-4-[(5-chloro-4-methyl-2-sulfophenyl)hydrazinylidene]-1-oxonaphthalene-2-carboxylic acid Traditional Name: (4E)-4-[(5-chloro-4-methyl-2-sulfo-phenyl)hydrazono]-1-keto-2-naphthoic acid Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C=C(C(=O)C3=CC=CC=C32)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C=C(C(=O)C3=CC=CC=C32)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H13ClN2O6S/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14/h2-8,21H,1H3,(H,23,24)(H,25,26,27)/b20-14+