(4E)-4-[(4-chloranyl-3-methyl-2-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid

Systemtic Name: (4E)-4-[(4-chloranyl-3-methyl-2-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: (4E)-4-[(4-chloro-3-methyl-2-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylic acid CAS Name: (4E)-4-[(4-chloro-3-methyl-2-sulfophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylic acid IUPAC Name: (4E)-4-[(4-chloro-3-methyl-2-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid Traditional Name: (4E)-4-[(4-chloro-3-methyl-2-sulfo-phenyl)hydrazono]-3-keto-2-naphthoic acid Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)O)Cl

InChI

InChI=1S/C18H13ClN2O6S/c1-9-13(19)6-7-14(17(9)28(25,26)27)20-21-15-11-5-3-2-4-10(11)8-12(16(15)22)18(23)24/h2-8,20H,1H3,(H,23,24)(H,25,26,27)/b21-15+