2-[4-[3-(4-methoxyphenyl)sulfanylpropyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropyl]phenyl]acetic acid CAS Name: 2-[4-[3-[(4-methoxyphenyl)thio]propyl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-methoxyphenyl)sulfanylpropyl]phenyl]acetic acid Traditional Name: 2-[4-[3-[(4-methoxyphenyl)thio]propyl]phenyl]acetic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C18H20O3S/c1-21-16-8-10-17(11-9-16)22-12-2-3-14-4-6-15(7-5-14)13-18(19)20/h4-11H,2-3,12-13H2,1H3,(H,19,20)