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

Systemtic Name: calcium (4E)-3-oxidanylidene-4-[(2-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate Openeye Name: calcium (4E)-3-oxo-4-[(2-sulfonato-1-naphthyl)hydrazono]naphthalene-2-carboxylate CAS Name: calcium (4E)-3-oxo-4-[(2-sulfonato-1-naphthalenyl)hydrazinylidene]-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-3-oxo-4-[(2-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate Traditional Name: calcium (4E)-3-keto-4-[(2-sulfonato-1-naphthyl)hydrazono]-2-naphthoate Formula: C21H12CaN2O6S MolecularWeight: 460.47278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2N/N=C/3\C4=CC=CC=C4C=C(C3=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

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