calcium 2,3-didodecylbenzenesulfonate

Systemtic Name: calcium 2,3-didodecylbenzenesulfonate Openeye Name: calcium 2,3-didodecylbenzenesulfonate CAS Name: calcium 2,3-didodecylbenzenesulfonate IUPAC Name: calcium 2,3-didodecylbenzenesulfonate Traditional Name: calcium 2,3-dilaurylbesylate Formula: C60H106CaO6S2 MolecularWeight: 1027.68804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCC.[Ca+2]

InChI

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