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

Systemtic Name: calcium; (4Z)-4-[(4-chloranyl-5-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate; hydron Openeye Name: calcium; (4Z)-4-[(4-chloro-5-methyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate; hydron CAS Name: calcium; (4Z)-4-[(4-chloro-5-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate; hydron IUPAC Name: calcium; (4Z)-4-[(4-chloro-5-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate; hydron Traditional Name: calcium; (4Z)-4-[(4-chloro-5-methyl-2-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate; hydron Formula: C36H24CaCl2N4O12S2 MolecularWeight: 879.70936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H13ClN2O6S.Ca/c2*1-9-6-14(15(8-13(9)19)28(25,26)27)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/p-2/b2*21-16-;