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

Systemtic Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]heptanoic acid Openeye Name: 5-methyl-3-(p-tolylsulfonyloxymethyl)heptanoic acid CAS Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]heptanoic acid IUPAC Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]heptanoic acid Traditional Name: 5-methyl-3-(tosyloxymethyl)enanthic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-4-12(2)9-14(10-16(17)18)11-21-22(19,20)15-7-5-13(3)6-8-15/h5-8,12,14H,4,9-11H2,1-3H3,(H,17,18)