sodium 4-(7-methyloctanoyl)benzenesulfonate

Systemtic Name: sodium 4-(7-methyloctanoyl)benzenesulfonate Openeye Name: sodium 4-(7-methyloctanoyl)benzenesulfonate CAS Name: sodium 4-(7-methyl-1-oxooctyl)benzenesulfonate IUPAC Name: sodium 4-(7-methyloctanoyl)benzenesulfonate Traditional Name: sodium 4-(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=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S.Na/c1-12(2)6-4-3-5-7-15(16)13-8-10-14(11-9-13)20(17,18)19;/h8-12H,3-7H2,1-2H3,(H,17,18,19);/q;+1/p-1