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

Systemtic Name: barium(2+); 3,4-di(nonyl)naphthalene-2-sulfonate Openeye Name: barium(2+); 3,4-di(nonyl)naphthalene-2-sulfonate CAS Name: barium(2+); 3,4-di(nonyl)-2-naphthalenesulfonate IUPAC Name: barium(2+); 3,4-di(nonyl)naphthalene-2-sulfonate Traditional Name: barium(2+); 3,4-di(nonyl)naphthalene-2-sulfonate Formula: C56H86BaO6S2 MolecularWeight: 1056.73544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)[O-])CCCCCCCCC.CCCCCCCCCC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)[O-])CCCCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)[O-])CCCCCCCCC.CCCCCCCCCC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)[O-])CCCCCCCCC.[Ba+2]

InChI

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