5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]octanoic acid

Systemtic Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]octanoic acid Openeye Name: 5-methyl-3-(p-tolylsulfonyloxymethyl)octanoic acid CAS Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]octanoic acid IUPAC Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]octanoic acid Traditional Name: 5-methyl-3-(tosyloxymethyl)caprylic acid Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C)CC(CC(=O)O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H26O5S/c1-4-5-14(3)10-15(11-17(18)19)12-22-23(20,21)16-8-6-13(2)7-9-16/h6-9,14-15H,4-5,10-12H2,1-3H3,(H,18,19)