2-[3-(4-phenylphenyl)butylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-(4-phenylphenyl)butylsulfanyl]ethanoic acid Openeye Name: 2-[3-(4-phenylphenyl)butylsulfanyl]acetic acid CAS Name: 2-[3-(4-phenylphenyl)butylthio]acetic acid IUPAC Name: 2-[3-(4-phenylphenyl)butylsulfanyl]acetic acid Traditional Name: 2-[3-(4-phenylphenyl)butylthio]acetic acid Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(CCSCC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H20O2S/c1-14(11-12-21-13-18(19)20)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,19,20)