barium(2+); 2-tetracosylbenzenesulfonate

Systemtic Name: barium(2+); 2-tetracosylbenzenesulfonate Openeye Name: barium(2+); 2-tetracosylbenzenesulfonate CAS Name: barium(2+); 2-tetracosylbenzenesulfonate IUPAC Name: barium(2+); 2-tetracosylbenzenesulfonate Traditional Name: barium(2+); 2-lignocerylbesylate Formula: C60H106BaO6S2 MolecularWeight: 1124.93704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C30H54O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2