calcium; barium(2+); (4Z)-4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium; barium(2+); (4Z)-4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium; barium(2+); (4Z)-4-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium; barium(2+); (4Z)-4-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium; barium(2+); (4Z)-4-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium; barium(2+); (4Z)-4-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C36H22BaCaCl2N4O12S2 MolecularWeight: 1015.02048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Ba+2]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C(=O)C(=CC3=CC=CC=C23)C(=O)[O-])S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)N/N=C/2\C(=O)C(=CC3=CC=CC=C23)C(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Ba+2]

InChI

InChI=1S/2C18H13ClN2O6S.Ba.Ca/c2*1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2*2-8,20H,1H3,(H,23,24)(H,25,26,27);;/q;;2*+2/p-4/b2*21-16-;;