2-phenylsulfanylethanoic acid; 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoic acid

Systemtic Name: 2-phenylsulfanylethanoic acid; 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoic acid Openeye Name: 2-phenylsulfanylacetic acid; 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoic acid CAS Name: 2-(phenylthio)acetic acid; 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid IUPAC Name: 2-phenylsulfanylacetic acid; 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid Traditional Name: 2-(phenylthio)acetic acid; 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid Formula: C18H17F3O5S MolecularWeight: 402.38479

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F.C1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F.C1=CC=C(C=C1)SCC(=O)O

InChI

InChI=1S/C10H9F3O3.C8H8O2S/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7;9-8(10)6-11-7-4-2-1-3-5-7/h2-6H,1H3,(H,14,15);1-5H,6H2,(H,9,10)