2-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[2-(p-tolyl)ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[2-(p-tolyl)ethoxy]benzyl]thio]acetic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCOC2=CC=CC(=C2)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCOC2=CC=CC(=C2)CSCC(=O)O

InChI

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