sodium 2-(7-methyloctanoyl)benzenesulfonate

Systemtic Name: sodium 2-(7-methyloctanoyl)benzenesulfonate Openeye Name: sodium 2-(7-methyloctanoyl)benzenesulfonate CAS Name: sodium 2-(7-methyl-1-oxooctyl)benzenesulfonate IUPAC Name: sodium 2-(7-methyloctanoyl)benzenesulfonate Traditional Name: sodium 2-(7-methyloctanoyl)besylate Formula: C15H21NaO4S MolecularWeight: 320.37961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCC(=O)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O4S.Na/c1-12(2)8-4-3-5-10-14(16)13-9-6-7-11-15(13)20(17,18)19;/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,17,18,19);/q;+1/p-1