2-(ethanoylsulfanylmethyl)-3-(4-phenoxyphenoxy)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-phenoxyphenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-phenoxyphenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-phenoxyphenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-phenoxyphenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-phenoxyphenoxy)propionic acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O5S/c1-13(19)24-12-14(18(20)21)11-22-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3,(H,20,21)