calcium 5-chloranyl-4-ethyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: calcium 5-chloranyl-4-ethyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: calcium 5-chloro-4-ethyl-2-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: calcium 5-chloro-4-ethyl-2-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: calcium 5-chloro-4-ethyl-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: calcium 5-chloro-4-ethyl-2-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate Formula: C36H28CaCl2N4O8S2 MolecularWeight: 819.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ca+2]

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.[Ca+2]

InChI

InChI=1S/2C18H15ClN2O4S.Ca/c2*1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22;/h2*3-10,20H,2H2,1H3,(H,23,24,25);/q;;+2/p-2/b2*21-18+;