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

Systemtic Name: 2-[4-[3-(4-chlorophenyl)prop-2-ynylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(4-chlorophenyl)prop-2-ynylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(4-chlorophenyl)prop-2-ynylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(4-chlorophenyl)prop-2-ynylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(4-chlorophenyl)prop-2-ynylthio]-2-methyl-phenoxy]acetic acid Formula: C18H15ClO3S MolecularWeight: 346.8279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO3S/c1-13-11-16(8-9-17(13)22-12-18(20)21)23-10-2-3-14-4-6-15(19)7-5-14/h4-9,11H,10,12H2,1H3,(H,20,21)