2-dodecan-2-yl-3-methyl-benzenesulfonate

Systemtic Name: 2-dodecan-2-yl-3-methyl-benzenesulfonate Openeye Name: 3-methyl-2-(1-methylundecyl)benzenesulfonate CAS Name: 2-dodecan-2-yl-3-methylbenzenesulfonate IUPAC Name: 2-dodecan-2-yl-3-methylbenzenesulfonate Traditional Name: 3-methyl-2-(1-methylundecyl)besylate Formula: C19H31O3S- MolecularWeight: 339.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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