O1-ethyl O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-octan-3-yl] propanedioate

Systemtic Name: O1-ethyl O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-octan-3-yl] propanedioate Openeye Name: O1-ethyl O3-[(1S)-1-[(1S)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]hexyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl] ester IUPAC Name: 1-O-ethyl 3-O-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[(1S)-1-[(1S)-1-methyl-2-tosyloxy-ethyl]hexyl] ester Formula: C21H32O7S MolecularWeight: 428.53958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)CC(=O)OCC

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)CC(=O)OCC

InChI

InChI=1S/C21H32O7S/c1-5-7-8-9-19(28-21(23)14-20(22)26-6-2)17(4)15-27-29(24,25)18-12-10-16(3)11-13-18/h10-13,17,19H,5-9,14-15H2,1-4H3/t17-,19-/m0/s1