calcium (4E)-3-oxidanylidene-4-[[1-(sulfonatomethyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-3-oxidanylidene-4-[[1-(sulfonatomethyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-carboxylate Openeye Name: calcium (4E)-3-oxo-4-[[1-(sulfonatomethyl)-2-naphthyl]hydrazono]naphthalene-2-carboxylate CAS Name: calcium (4E)-3-oxo-4-[[1-(sulfonatomethyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-3-oxo-4-[[1-(sulfonatomethyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-carboxylate Traditional Name: calcium (4E)-3-keto-4-[[1-(sulfonatomethyl)-2-naphthyl]hydrazono]-2-naphthoate Formula: C22H14CaN2O6S MolecularWeight: 474.49936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CS(=O)(=O)[O-])NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CS(=O)(=O)[O-])N/N=C/3\C4=CC=CC=C4C=C(C3=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C22H16N2O6S.Ca/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;/h1-11,23H,12H2,(H,26,27)(H,28,29,30);/q;+2/p-2/b24-20+;