2-(furan-2-ylmethylsulfonylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfonylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(2-furylmethylsulfonyl)propanoic acid CAS Name: 2-(2-furanylmethylsulfonylmethyl)-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(furan-2-ylmethylsulfonyl)propanoic acid Traditional Name: 2-benzyl-3-(2-furfurylsulfonyl)propionic acid Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=CO2)C(=O)O

InChI

InChI=1S/C15H16O5S/c16-15(17)13(9-12-5-2-1-3-6-12)10-21(18,19)11-14-7-4-8-20-14/h1-8,13H,9-11H2,(H,16,17)