5-phenyl-2-(3-phenylpropylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(3-phenylpropylsulfanylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(3-phenylpropylsulfanylmethyl)pentanoic acid CAS Name: 5-phenyl-2-[(3-phenylpropylthio)methyl]pentanoic acid IUPAC Name: 5-phenyl-2-(3-phenylpropylsulfanylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-[(3-phenylpropylthio)methyl]valeric acid Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O2S/c22-21(23)20(15-7-13-18-9-3-1-4-10-18)17-24-16-8-14-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H,22,23)