calcium (5Z)-6-oxidanylidene-5-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: calcium (5Z)-6-oxidanylidene-5-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: calcium (5Z)-6-oxo-5-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate CAS Name: calcium (5Z)-6-oxo-5-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: calcium (5Z)-6-oxo-5-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: calcium (5Z)-6-keto-5-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate Formula: C20H12CaN2O7S2 MolecularWeight: 496.52648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C4=C(C=CC3=O)C=C(C=C4)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N/N=C\3/C4=C(C=CC3=O)C=C(C=C4)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C20H14N2O7S2.Ca/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,21H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-19-;