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

Systemtic Name: calcium (4E)-4-[(4-chloranyl-3-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(4-chloro-3-methyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(4-chloro-3-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(4-chloro-3-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-4-[(4-chloro-3-methyl-2-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C18H11CaClN2O6S MolecularWeight: 458.88574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C18H13ClN2O6S.Ca/c1-9-13(19)6-7-14(17(9)28(25,26)27)20-21-15-11-5-3-2-4-10(11)8-12(16(15)22)18(23)24;/h2-8,20H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-15+;