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

Systemtic Name: 2-[2-methyl-4-(3-phenylprop-2-ynylsulfanyl)phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-(3-phenylprop-2-ynylsulfanyl)phenoxy]acetic acid CAS Name: 2-[2-methyl-4-(3-phenylprop-2-ynylthio)phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-(3-phenylprop-2-ynylsulfanyl)phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-(3-phenylprop-2-ynylthio)phenoxy]acetic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O3S/c1-14-12-16(9-10-17(14)21-13-18(19)20)22-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,11,13H2,1H3,(H,19,20)