calcium 2-nonylbenzenesulfonate

Systemtic Name: calcium 2-nonylbenzenesulfonate Openeye Name: calcium 2-nonylbenzenesulfonate CAS Name: calcium 2-nonylbenzenesulfonate IUPAC Name: calcium 2-nonylbenzenesulfonate Traditional Name: calcium 2-nonylbesylate Formula: C30H46CaO6S2 MolecularWeight: 606.89064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C15H24O3S.Ca/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18;/h2*9-10,12-13H,2-8,11H2,1H3,(H,16,17,18);/q;;+2/p-2