2-(2-methylpropylsulfonylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(2-methylpropylsulfonylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(isobutylsulfonylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-(2-methylpropylsulfonylmethyl)-5-phenylpentanoic acid IUPAC Name: 2-(2-methylpropylsulfonylmethyl)-5-phenylpentanoic acid Traditional Name: 2-(isobutylsulfonylmethyl)-5-phenyl-valeric acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC(CCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CC(CCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H24O4S/c1-13(2)11-21(19,20)12-15(16(17)18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,18)