2-(furan-2-ylmethylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(2-furylmethylsulfanylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-[(2-furanylmethylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(furan-2-ylmethylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 2-[(2-furfurylthio)methyl]-5-phenyl-valeric acid Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSCC2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C17H20O3S/c18-17(19)15(12-21-13-16-10-5-11-20-16)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-11,15H,4,8-9,12-13H2,(H,18,19)