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

Systemtic Name: barium(2+); 2-[(2E)-2-(4-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate Openeye Name: barium(2+); 2-[(2E)-2-(4-oxo-1-naphthylidene)hydrazino]naphthalene-1-sulfonate CAS Name: barium(2+); 2-[(2E)-2-(4-oxo-1-naphthalenylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name: barium(2+); 2-[(2E)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate Traditional Name: barium(2+); 2-[(N'E)-N'-(4-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(=C2S(=O)(=O)[O-])NN=C3C=CC(=O)C4=CC=CC=C34.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C=CC(=O)C4=CC=CC=C34.[Ba+2]

Isomeric SMILES

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

InChI

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