calcium (4E)-4-[[2,4-bis(chloranyl)-3-methyl-6-sulfonato-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-4-[[2,4-bis(chloranyl)-3-methyl-6-sulfonato-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(2,4-dichloro-3-methyl-6-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(2,4-dichloro-3-methyl-6-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(2,4-dichloro-3-methyl-6-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-4-[(2,4-dichloro-3-methyl-6-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C18H10CaCl2N2O6S MolecularWeight: 493.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C(=C1Cl)N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C18H12Cl2N2O6S.Ca/c1-8-12(19)7-13(29(26,27)28)16(14(8)20)22-21-15-10-5-3-2-4-9(10)6-11(17(15)23)18(24)25;/h2-7,22H,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2/b21-15+;