2-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(4-methoxyphenyl)prop-2-ynylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(4-methoxyphenyl)prop-2-ynylthio]-2-methyl-phenoxy]acetic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC#CC2=CC=C(C=C2)OC)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC#CC2=CC=C(C=C2)OC)OCC(=O)O

InChI

InChI=1S/C19H18O4S/c1-14-12-17(9-10-18(14)23-13-19(20)21)24-11-3-4-15-5-7-16(22-2)8-6-15/h5-10,12H,11,13H2,1-2H3,(H,20,21)