2-(4-methylphenyl)sulfonyl-8-methylsulfonyl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8-methylsulfonyl-octanoic acid Openeye Name: 8-methylsulfonyl-2-(p-tolylsulfonyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-8-methylsulfonyloctanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-8-methylsulfonyloctanoic acid Traditional Name: 8-mesyl-2-tosyl-caprylic acid Formula: C16H24O6S2 MolecularWeight: 376.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H24O6S2/c1-13-8-10-14(11-9-13)24(21,22)15(16(17)18)7-5-3-4-6-12-23(2,19)20/h8-11,15H,3-7,12H2,1-2H3,(H,17,18)