barium(2+); 3-chloranyl-4-ethyl-5-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: barium(2+); 3-chloranyl-4-ethyl-5-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: barium(2+); 3-chloro-4-ethyl-5-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: barium(2+); 3-chloro-4-ethyl-5-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: barium(2+); 3-chloro-4-ethyl-5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: barium(2+); 3-chloro-4-ethyl-5-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate Formula: C36H28BaCl2N4O8S2 MolecularWeight: 916.99252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-])Cl.CCC1=C(C=C(C=C1NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-])Cl.[Ba+2]

Isomeric SMILES

CCC1=C(C=C(C=C1N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-])Cl.CCC1=C(C=C(C=C1N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-])Cl.[Ba+2]

InChI

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