3-(4-methoxyphenyl)sulfanyl-5-phenyl-pentanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-5-phenyl-pentanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfanyl-5-phenyl-pentanoic acid CAS Name: 3-[(4-methoxyphenyl)thio]-5-phenylpentanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-5-phenylpentanoic acid Traditional Name: 3-[(4-methoxyphenyl)thio]-5-phenyl-valeric acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(CCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC(CCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H20O3S/c1-21-15-8-11-16(12-9-15)22-17(13-18(19)20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3,(H,19,20)