calcium 3-decylbenzenesulfonate

Systemtic Name: calcium 3-decylbenzenesulfonate Openeye Name: calcium 3-decylbenzenesulfonate CAS Name: calcium 3-decylbenzenesulfonate IUPAC Name: calcium 3-decylbenzenesulfonate Traditional Name: calcium 3-decylbesylate Formula: C32H50CaO6S2 MolecularWeight: 634.9438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H26O3S.Ca/c2*1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(14-15)20(17,18)19;/h2*10,12-14H,2-9,11H2,1H3,(H,17,18,19);/q;;+2/p-2