3-methyl-8-(4-methylphenyl)sulfonyloxy-octanoic acid

Systemtic Name: 3-methyl-8-(4-methylphenyl)sulfonyloxy-octanoic acid Openeye Name: 3-methyl-8-(p-tolylsulfonyloxy)octanoic acid CAS Name: 3-methyl-8-(4-methylphenyl)sulfonyloxyoctanoic acid IUPAC Name: 3-methyl-8-(4-methylphenyl)sulfonyloxyoctanoic acid Traditional Name: 3-methyl-8-tosyloxy-caprylic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-13-7-9-15(10-8-13)22(19,20)21-11-5-3-4-6-14(2)12-16(17)18/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,18)