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

Systemtic Name: (4E)-4-[(3-chloranyl-2-methyl-5-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: (4E)-4-[(3-chloro-2-methyl-5-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylic acid CAS Name: (4E)-4-[(3-chloro-2-methyl-5-sulfophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylic acid IUPAC Name: (4E)-4-[(3-chloro-2-methyl-5-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid Traditional Name: (4E)-4-[(3-chloro-2-methyl-5-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=C(C=C1NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O)Cl

InChI

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