calcium (4Z)-4-[(4-methyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4Z)-4-[(4-methyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4Z)-4-[(4-methyl-3-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4Z)-4-[(4-methyl-3-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4Z)-4-[(4-methyl-3-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4Z)-3-keto-4-[(4-methyl-3-sulfonato-phenyl)hydrazono]-2-naphthoate Formula: C18H12CaN2O6S MolecularWeight: 424.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=C(C=C(C=C1)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-12(9-15(10)27(24,25)26)19-20-16-13-5-3-2-4-11(13)8-14(17(16)21)18(22)23;/h2-9,19H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-16-;