3-(phenylmethyl)sulfonylbutanoic acid

Systemtic Name: 3-(phenylmethyl)sulfonylbutanoic acid Openeye Name: 3-benzylsulfonylbutanoic acid CAS Name: 3-(phenylmethyl)sulfonylbutanoic acid IUPAC Name: 3-benzylsulfonylbutanoic acid Traditional Name: 3-benzylsulfonylbutyric acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C11H14O4S/c1-9(7-11(12)13)16(14,15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)