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

Systemtic Name: barium(2+); 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: barium(2+); 4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: barium(2+); 4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: barium(2+); 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: barium(2+); 4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate Formula: C32H22BaN4O8S2 MolecularWeight: 791.99608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)C=CC2=C1.C1=CC=C2/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)C=CC2=C1.[Ba+2]

InChI

InChI=1S/2C16H12N2O4S.Ba/c2*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h2*1-10,17H,(H,20,21,22);/q;;+2/p-2/b2*18-16+;