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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2NN=C3C=CC(=O)C4=CC=CC=C34)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2NN=C3C=CC(=O)C4=CC=CC=C34)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

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

InChI

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