calcium (5Z)-5-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: calcium (5Z)-5-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: calcium (5Z)-5-[(4-methyl-2-sulfonato-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: calcium (5Z)-5-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: calcium (5Z)-5-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: calcium (5Z)-6-keto-5-[(4-methyl-2-sulfonato-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C17H12CaN2O7S2 MolecularWeight: 460.49438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C\2/C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C17H14N2O7S2.Ca/c1-10-2-6-14(16(8-10)28(24,25)26)18-19-17-13-5-4-12(27(21,22)23)9-11(13)3-7-15(17)20;/h2-9,18H,1H3,(H,21,22,23)(H,24,25,26);/q;+2/p-2/b19-17-;