3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-benzyloxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]propanoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]propionic acid Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C25H26O4S/c1-28-22-13-9-21(10-14-22)24(30-16-15-25(26)27)17-19-7-11-23(12-8-19)29-18-20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3,(H,26,27)