calcium 2-(8-methylnonyl)benzenesulfonate

Systemtic Name: calcium 2-(8-methylnonyl)benzenesulfonate Openeye Name: calcium 2-(8-methylnonyl)benzenesulfonate CAS Name: calcium 2-(8-methylnonyl)benzenesulfonate IUPAC Name: calcium 2-(8-methylnonyl)benzenesulfonate Traditional Name: calcium 2-(8-methylnonyl)besylate Formula: C32H50CaO6S2 MolecularWeight: 634.9438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

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