3-[4-(oxolan-2-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(oxolan-2-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(tetrahydrofuran-2-ylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(2-oxolanylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(oxolan-2-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(tetrahydrofurfurylsulfonyl)phenyl]propionic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1CC(OC1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H18O5S/c15-14(16)8-5-11-3-6-13(7-4-11)20(17,18)10-12-2-1-9-19-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,15,16)