calcium (4Z)-4-[(4-chloranyl-5-ethyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-carboxylate

Systemtic Name: calcium (4Z)-4-[(4-chloranyl-5-ethyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-carboxylate Openeye Name: calcium (4Z)-4-[(4-chloro-5-ethyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-1-carboxylate CAS Name: calcium (4Z)-4-[(4-chloro-5-ethyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-1-naphthalenecarboxylate IUPAC Name: calcium (4Z)-4-[(4-chloro-5-ethyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-1-carboxylate Traditional Name: calcium (4Z)-4-[(4-chloro-5-ethyl-2-sulfonato-phenyl)hydrazono]-3-keto-1-naphthoate Formula: C19H13CaClN2O6S MolecularWeight: 472.91232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C3=CC=CC=C3C(=CC2=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C\2/C3=CC=CC=C3C(=CC2=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C19H15ClN2O6S.Ca/c1-2-10-7-15(17(9-14(10)20)29(26,27)28)21-22-18-12-6-4-3-5-11(12)13(19(24)25)8-16(18)23;/h3-9,21H,2H2,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2/b22-18-;