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

Systemtic Name: calcium 4-[(2-chloranyl-3-methyl-4-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: calcium 4-[(2-chloro-3-methyl-4-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylic acid CAS Name: calcium 4-[(2-chloro-3-methyl-4-sulfophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylic acid IUPAC Name: calcium 4-[(2-chloro-3-methyl-4-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid Traditional Name: calcium 4-[(2-chloro-3-methyl-4-sulfo-phenyl)hydrazono]-3-keto-2-naphthoic acid Formula: C18H13CaClN2O6S+2 MolecularWeight: 460.90162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O.[Ca+2]

Isomeric SMILES

CC1=C(C=CC(=C1Cl)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O.[Ca+2]

InChI

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