barium(2+); 6-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate

Systemtic Name: barium(2+); 6-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Openeye Name: barium(2+); 6-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-2-sulfonate CAS Name: barium(2+); 6-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-2-naphthalenesulfonate IUPAC Name: barium(2+); 6-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Traditional Name: barium(2+); 6-[(N'Z)-N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-2-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=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2/C(=N/NC3=CC4=C(C=C(C=C4)S(=O)(=O)[O-])C=C3)/C(=O)C=CC2=C1.C1=CC=C2/C(=N/NC3=CC4=C(C=C(C=C4)S(=O)(=O)[O-])C=C3)/C(=O)C=CC2=C1.[Ba+2]

InChI

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