(3E)-3-[(5-chloranyl-4-methyl-2-sulfo-phenyl)hydrazinylidene]-2-oxidanylidene-naphthalene-1-carboxylic acid

Systemtic Name: (3E)-3-[(5-chloranyl-4-methyl-2-sulfo-phenyl)hydrazinylidene]-2-oxidanylidene-naphthalene-1-carboxylic acid Openeye Name: (3E)-3-[(5-chloro-4-methyl-2-sulfo-phenyl)hydrazono]-2-oxo-naphthalene-1-carboxylic acid CAS Name: (3E)-3-[(5-chloro-4-methyl-2-sulfophenyl)hydrazinylidene]-2-oxo-1-naphthalenecarboxylic acid IUPAC Name: (3E)-3-[(5-chloro-4-methyl-2-sulfophenyl)hydrazinylidene]-2-oxonaphthalene-1-carboxylic acid Traditional Name: (3E)-3-[(5-chloro-4-methyl-2-sulfo-phenyl)hydrazono]-2-keto-1-naphthoic acid Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C=C3C=CC=CC3=C(C2=O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C=C3C=CC=CC3=C(C2=O)C(=O)O)S(=O)(=O)O

InChI

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