calcium (4E)-3-oxidanylidene-4-[(5-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-3-oxidanylidene-4-[(5-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate Openeye Name: calcium (4E)-3-oxo-4-[(5-sulfonato-1-naphthyl)hydrazono]naphthalene-2-carboxylate CAS Name: calcium (4E)-3-oxo-4-[(5-sulfonato-1-naphthalenyl)hydrazinylidene]-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-3-oxo-4-[(5-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-carboxylate Traditional Name: calcium (4E)-3-keto-4-[(5-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=C(C(=O)C2=NNC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

InChI

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