barium(2+); 2,3-didecylbenzenesulfonate

Systemtic Name: barium(2+); 2,3-didecylbenzenesulfonate Openeye Name: barium(2+); 2,3-didecylbenzenesulfonate CAS Name: barium(2+); 2,3-didecylbenzenesulfonate IUPAC Name: barium(2+); 2,3-didecylbenzenesulfonate Traditional Name: barium(2+); 2,3-didecylbesylate Formula: C52H90BaO6S2 MolecularWeight: 1012.7244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCC.CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCC.[Ba+2]

InChI

InChI=1S/2C26H46O3S.Ba/c2*1-3-5-7-9-11-13-15-17-20-24-21-19-23-26(30(27,28)29)25(24)22-18-16-14-12-10-8-6-4-2;/h2*19,21,23H,3-18,20,22H2,1-2H3,(H,27,28,29);/q;;+2/p-2