2-tridecan-2-ylbenzenesulfonate

Systemtic Name: 2-tridecan-2-ylbenzenesulfonate Openeye Name: 2-(1-methyldodecyl)benzenesulfonate CAS Name: 2-tridecan-2-ylbenzenesulfonate IUPAC Name: 2-tridecan-2-ylbenzenesulfonate Traditional Name: 2-(1-methyldodecyl)besylate Formula: C19H31O3S- MolecularWeight: 339.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-14-17(2)18-15-12-13-16-19(18)23(20,21)22/h12-13,15-17H,3-11,14H2,1-2H3,(H,20,21,22)/p-1