3-dodecan-2-yl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-dodecan-2-yl-4-methyl-benzenesulfonic acid Openeye Name: 4-methyl-3-(1-methylundecyl)benzenesulfonic acid CAS Name: 3-dodecan-2-yl-4-methylbenzenesulfonic acid IUPAC Name: 3-dodecan-2-yl-4-methylbenzenesulfonic acid Traditional Name: 4-methyl-3-(1-methylundecyl)besylic acid Formula: C19H32O3S MolecularWeight: 340.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C1=C(C=CC(=C1)S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCC(C)C1=C(C=CC(=C1)S(=O)(=O)O)C

InChI

InChI=1S/C19H32O3S/c1-4-5-6-7-8-9-10-11-12-16(2)19-15-18(23(20,21)22)14-13-17(19)3/h13-16H,4-12H2,1-3H3,(H,20,21,22)