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

Systemtic Name: calcium (4Z)-4-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4Z)-4-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4Z)-4-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4Z)-4-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4Z)-3-keto-4-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-2-naphthoate Formula: C18H12CaN2O7S MolecularWeight: 440.44008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

COC1=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/C18H14N2O7S.Ca/c1-27-11-6-7-14(15(9-11)28(24,25)26)19-20-16-12-5-3-2-4-10(12)8-13(17(16)21)18(22)23;/h2-9,19H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-16-;