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

Systemtic Name: barium(2+); 5-chloranyl-4-ethyl-2-[(2E)-2-(4-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(4-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(4-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: barium(2+); 5-chloro-4-ethyl-2-[(N'E)-N'-(4-keto-1-naphthylidene)hydrazino]besylate Formula: C36H28BaCl2N4O8S2 MolecularWeight: 916.99252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C=CC(=O)C3=CC=CC=C23.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C=CC(=O)C3=CC=CC=C23.[Ba+2]

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C\2/C3=CC=CC=C3C(=O)C=C2.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C\2/C3=CC=CC=C3C(=O)C=C2.[Ba+2]

InChI

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