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

Systemtic Name: barium(2+); 2-[(2Z)-2-(1-oxidanylidenenaphthalen-2-ylidene)hydrazinyl]naphthalene-1-sulfonate Openeye Name: barium(2+); 2-[(2Z)-2-(1-oxo-2-naphthylidene)hydrazino]naphthalene-1-sulfonate CAS Name: barium(2+); 2-[(2Z)-2-(1-oxo-2-naphthalenylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name: barium(2+); 2-[(2Z)-2-(1-oxonaphthalen-2-ylidene)hydrazinyl]naphthalene-1-sulfonate Traditional Name: barium(2+); 2-[(N'Z)-N'-(1-keto-2-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(=C2S(=O)(=O)[O-])NN=C3C=CC4=CC=CC=C4C3=O.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C=CC4=CC=CC=C4C3=O.[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C(C=CC2=C1)N/N=C/3\C(=O)C4=CC=CC=C4C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C(C=CC2=C1)N/N=C/3\C(=O)C4=CC=CC=C4C=C3)S(=O)(=O)[O-].[Ba+2]

InChI

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