calcium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazono]-1-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-1-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-1-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-1-keto-4-[(4-methyl-2-sulfonato-phenyl)hydrazono]-2-naphthoate Formula: C18H12CaN2O6S MolecularWeight: 424.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

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