barium(2+); 2,3-di(nonyl)naphthalene-1-sulfonate

Systemtic Name: barium(2+); 2,3-di(nonyl)naphthalene-1-sulfonate Openeye Name: barium(2+); 2,3-di(nonyl)naphthalene-1-sulfonate CAS Name: barium(2+); 2,3-di(nonyl)-1-naphthalenesulfonate IUPAC Name: barium(2+); 2,3-di(nonyl)naphthalene-1-sulfonate Traditional Name: barium(2+); 2,3-di(nonyl)naphthalene-1-sulfonate Formula: C56H86BaO6S2 MolecularWeight: 1056.73544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C28H44O3S.Ba/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2