8-chloranyl-6-(4-methylphenyl)sulfonyloxy-octanoic acid

Systemtic Name: 8-chloranyl-6-(4-methylphenyl)sulfonyloxy-octanoic acid Openeye Name: 8-chloro-6-(p-tolylsulfonyloxy)octanoic acid CAS Name: 8-chloro-6-(4-methylphenyl)sulfonyloxyoctanoic acid IUPAC Name: 8-chloro-6-(4-methylphenyl)sulfonyloxyoctanoic acid Traditional Name: 8-chloro-6-tosyloxy-caprylic acid Formula: C15H21ClO5S MolecularWeight: 348.84224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(=O)O)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(=O)O)CCCl

InChI

InChI=1S/C15H21ClO5S/c1-12-6-8-14(9-7-12)22(19,20)21-13(10-11-16)4-2-3-5-15(17)18/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)