2-(phenethylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(phenethylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(phenethylsulfanylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-[(phenethylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(phenethylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 2-[(phenethylthio)methyl]-5-phenyl-valeric acid Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H24O2S/c21-20(22)19(13-7-12-17-8-3-1-4-9-17)16-23-15-14-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,21,22)