(2S)-2-[(1R)-1-(4-methylphenyl)sulfonyloxy-3-prop-2-enoxy-propyl]octanoic acid

Systemtic Name: (2S)-2-[(1R)-1-(4-methylphenyl)sulfonyloxy-3-prop-2-enoxy-propyl]octanoic acid Openeye Name: (2S)-2-[(1R)-3-allyloxy-1-(p-tolylsulfonyloxy)propyl]octanoic acid CAS Name: (2S)-2-[(1R)-1-(4-methylphenyl)sulfonyloxy-3-prop-2-enoxypropyl]octanoic acid IUPAC Name: (2S)-2-[(1R)-1-(4-methylphenyl)sulfonyloxy-3-prop-2-enoxypropyl]octanoic acid Traditional Name: (2S)-2-[(1R)-3-allyloxy-1-tosyloxy-propyl]caprylic acid Formula: C21H32O6S MolecularWeight: 412.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCOCC=C)OS(=O)(=O)C1=CC=C(C=C1)C)C(=O)O

Isomeric SMILES

CCCCCC[C@@H]([C@@H](CCOCC=C)OS(=O)(=O)C1=CC=C(C=C1)C)C(=O)O

InChI

InChI=1S/C21H32O6S/c1-4-6-7-8-9-19(21(22)23)20(14-16-26-15-5-2)27-28(24,25)18-12-10-17(3)11-13-18/h5,10-13,19-20H,2,4,6-9,14-16H2,1,3H3,(H,22,23)/t19-,20+/m0/s1