calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C19H14CaN2O7S MolecularWeight: 454.46666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C19H16N2O7S.Ca/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,20H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-17-;