barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate

Systemtic Name: barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate Openeye Name: barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate CAS Name: barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate IUPAC Name: barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate Traditional Name: barium(2+); 3,4-di(nonyl)naphthalene-1,2-disulfonate Formula: C28H42BaO6S2 MolecularWeight: 676.08648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCCCC.[Ba+2]

InChI

InChI=1S/C28H44O6S2.Ba/c1-3-5-7-9-11-13-15-19-23-24-20-17-18-22-26(24)28(36(32,33)34)27(35(29,30)31)25(23)21-16-14-12-10-8-6-4-2;/h17-18,20,22H,3-16,19,21H2,1-2H3,(H,29,30,31)(H,32,33,34);/q;+2/p-2