6-(4-methylphenyl)sulfonyl-5-oxidanyl-8-phenyl-octanoic acid

Systemtic Name: 6-(4-methylphenyl)sulfonyl-5-oxidanyl-8-phenyl-octanoic acid Openeye Name: 5-hydroxy-8-phenyl-6-(p-tolylsulfonyl)octanoic acid CAS Name: 5-hydroxy-6-(4-methylphenyl)sulfonyl-8-phenyloctanoic acid IUPAC Name: 5-hydroxy-6-(4-methylphenyl)sulfonyl-8-phenyloctanoic acid Traditional Name: 5-hydroxy-8-phenyl-6-tosyl-caprylic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC=CC=C2)C(CCCC(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC=CC=C2)C(CCCC(=O)O)O

InChI

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