methyl 5-oxidanyl-8-phenyl-6-(phenylsulfonyl)octanoate

Systemtic Name: methyl 5-oxidanyl-8-phenyl-6-(phenylsulfonyl)octanoate Openeye Name: methyl 6-(benzenesulfonyl)-5-hydroxy-8-phenyl-octanoate CAS Name: 6-(benzenesulfonyl)-5-hydroxy-8-phenyloctanoic acid methyl ester IUPAC Name: methyl 6-(benzenesulfonyl)-5-hydroxy-8-phenyloctanoate Traditional Name: 6-besyl-5-hydroxy-8-phenyl-caprylic acid methyl ester Formula: C21H26O5S MolecularWeight: 390.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCC(C(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H26O5S/c1-26-21(23)14-8-13-19(22)20(16-15-17-9-4-2-5-10-17)27(24,25)18-11-6-3-7-12-18/h2-7,9-12,19-20,22H,8,13-16H2,1H3