calcium (4E)-4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-1-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-1-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-1-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-1-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-4-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-1-keto-2-naphthoate Formula: C18H11CaClN2O6S MolecularWeight: 458.88574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;/h2-8,21H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b20-14+;