3-dodecyl-4-methyl-benzenesulfonate

Systemtic Name: 3-dodecyl-4-methyl-benzenesulfonate Openeye Name: 3-dodecyl-4-methyl-benzenesulfonate CAS Name: 3-dodecyl-4-methylbenzenesulfonate IUPAC Name: 3-dodecyl-4-methylbenzenesulfonate Traditional Name: 3-lauryl-4-methyl-besylate Formula: C19H31O3S- MolecularWeight: 339.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-19(23(20,21)22)15-14-17(18)2/h14-16H,3-13H2,1-2H3,(H,20,21,22)/p-1