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

Systemtic Name: barium; (4Z)-4-[(4-chloranyl-5-methyl-2-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: barium; (4Z)-4-[(4-chloro-5-methyl-2-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylic acid CAS Name: barium; (4Z)-4-[(4-chloro-5-methyl-2-sulfophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylic acid IUPAC Name: barium; (4Z)-4-[(4-chloro-5-methyl-2-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid Traditional Name: barium; (4Z)-4-[(4-chloro-5-methyl-2-sulfo-phenyl)hydrazono]-3-keto-2-naphthoic acid Formula: C18H13BaClN2O6S MolecularWeight: 558.15062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O.[Ba]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)O.[Ba]

InChI

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