calcium 2-octadecylbenzenesulfonate

Systemtic Name: calcium 2-octadecylbenzenesulfonate Openeye Name: calcium 2-octadecylbenzenesulfonate CAS Name: calcium 2-octadecylbenzenesulfonate IUPAC Name: calcium 2-octadecylbenzenesulfonate Traditional Name: calcium 2-stearylbesylate Formula: C24H41CaO3S+ MolecularWeight: 449.72354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C24H42O3S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;+2/p-1