2-(4-methylphenyl)sulfonyl-6-(phenylsulfonyl)hexanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-6-(phenylsulfonyl)hexanoic acid Openeye Name: 6-(benzenesulfonyl)-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 6-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylhexanoic acid IUPAC Name: 6-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylhexanoic acid Traditional Name: 6-besyl-2-tosyl-hexanoic acid Formula: C19H22O6S2 MolecularWeight: 410.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22O6S2/c1-15-10-12-17(13-11-15)27(24,25)18(19(20)21)9-5-6-14-26(22,23)16-7-3-2-4-8-16/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,20,21)