calcium (4E)-4-[(3-chloranyl-2-ethyl-5-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-4-[(3-chloranyl-2-ethyl-5-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(3-chloro-2-ethyl-5-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(3-chloro-2-ethyl-5-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(3-chloro-2-ethyl-5-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-4-[(3-chloro-2-ethyl-5-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C19H13CaClN2O6S MolecularWeight: 472.91232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

CCC1=C(C=C(C=C1N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C19H15ClN2O6S.Ca/c1-2-12-15(20)8-11(29(26,27)28)9-16(12)21-22-17-13-6-4-3-5-10(13)7-14(18(17)23)19(24)25;/h3-9,21H,2H2,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2/b22-17+;