5-(phenylmethyl)sulfonylpentanoic acid

Systemtic Name: 5-(phenylmethyl)sulfonylpentanoic acid Openeye Name: 5-benzylsulfonylpentanoic acid CAS Name: 5-(phenylmethyl)sulfonylpentanoic acid IUPAC Name: 5-benzylsulfonylpentanoic acid Traditional Name: 5-benzylsulfonylvaleric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c13-12(14)8-4-5-9-17(15,16)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)