calcium (4E)-3-oxidanylidene-4-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-3-oxidanylidene-4-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-carboxylate Openeye Name: calcium (4E)-3-oxo-4-[(6-sulfonato-2-naphthyl)hydrazono]naphthalene-2-carboxylate CAS Name: calcium (4E)-3-oxo-4-[(6-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-3-oxo-4-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-carboxylate Traditional Name: calcium (4E)-3-keto-4-[(6-sulfonato-2-naphthyl)hydrazono]-2-naphthoate Formula: C21H12CaN2O6S MolecularWeight: 460.47278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)C2=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C21H14N2O6S.Ca/c24-20-18(21(25)26)11-14-3-1-2-4-17(14)19(20)23-22-15-7-5-13-10-16(30(27,28)29)8-6-12(13)9-15;/h1-11,22H,(H,25,26)(H,27,28,29);/q;+2/p-2/b23-19+;