3-methyl-2-(3-phenoxypropylsulfonylmethyl)butanoic acid

Systemtic Name: 3-methyl-2-(3-phenoxypropylsulfonylmethyl)butanoic acid Openeye Name: 3-methyl-2-(3-phenoxypropylsulfonylmethyl)butanoic acid CAS Name: 3-methyl-2-(3-phenoxypropylsulfonylmethyl)butanoic acid IUPAC Name: 3-methyl-2-(3-phenoxypropylsulfonylmethyl)butanoic acid Traditional Name: 3-methyl-2-(3-phenoxypropylsulfonylmethyl)butyric acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)CCCOC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)CCCOC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H22O5S/c1-12(2)14(15(16)17)11-21(18,19)10-6-9-20-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,16,17)