calcium 2-octylbenzenesulfonate

Systemtic Name: calcium 2-octylbenzenesulfonate Openeye Name: calcium 2-octylbenzenesulfonate CAS Name: calcium 2-octylbenzenesulfonate IUPAC Name: calcium 2-octylbenzenesulfonate Traditional Name: calcium 2-octylbesylate Formula: C28H42CaO6S2 MolecularWeight: 578.83748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H22O3S.Ca/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17;/h2*8-9,11-12H,2-7,10H2,1H3,(H,15,16,17);/q;;+2/p-2