2-(4-methylphenoxy)-6-(phenylsulfonyl)hexanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenylsulfanyl-hexanoic acid

Systemtic Name: 2-(4-methylphenoxy)-6-(phenylsulfonyl)hexanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenylsulfanyl-hexanoic acid Openeye Name: 6-(benzenesulfonyl)-2-(4-methylphenoxy)hexanoic acid; 6-phenylsulfanyl-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 6-(benzenesulfonyl)-2-(4-methylphenoxy)hexanoic acid; 2-(4-methylphenyl)sulfonyl-6-(phenylthio)hexanoic acid IUPAC Name: 6-(benzenesulfonyl)-2-(4-methylphenoxy)hexanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenylsulfanylhexanoic acid Traditional Name: 6-besyl-2-(4-methylphenoxy)hexanoic acid; 6-(phenylthio)-2-tosyl-hexanoic acid Formula: C38H44O9S3 MolecularWeight: 740.94556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(CCCCS(=O)(=O)C2=CC=CC=C2)C(=O)O.CC1=CC=C(C=C1)S(=O)(=O)C(CCCCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(CCCCS(=O)(=O)C2=CC=CC=C2)C(=O)O.CC1=CC=C(C=C1)S(=O)(=O)C(CCCCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22O5S.C19H22O4S2/c1-15-10-12-16(13-11-15)24-18(19(20)21)9-5-6-14-25(22,23)17-7-3-2-4-8-17;1-15-10-12-17(13-11-15)25(22,23)18(19(20)21)9-5-6-14-24-16-7-3-2-4-8-16/h2*2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,20,21)