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

Systemtic Name: barium(2+); 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate Openeye Name: barium(2+); 4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-1-sulfonate CAS Name: barium(2+); 4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name: barium(2+); 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate Traditional Name: barium(2+); 4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-1-sulfonate Formula: C40H26BaN4O8S2 MolecularWeight: 892.11344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2/C(=N\NC3=CC=C(C4=CC=CC=C34)S(=O)(=O)[O-])/C(=O)C=CC2=C1.C1=CC=C2/C(=N\NC3=CC=C(C4=CC=CC=C34)S(=O)(=O)[O-])/C(=O)C=CC2=C1.[Ba+2]

InChI

InChI=1S/2C20H14N2O4S.Ba/c2*23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h2*1-12,21H,(H,24,25,26);/q;;+2/p-2/b2*22-20+;