4-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoic acid

Systemtic Name: 4-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoic acid Openeye Name: 4-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoic acid CAS Name: 4-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylthio]propyl]benzoic acid IUPAC Name: 4-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoic acid Traditional Name: 4-[3-(1,3-dioxolan-2-yl)-3-(p-anisylthio)propyl]benzoic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)O)C3OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)O)C3OCCO3

InChI

InChI=1S/C21H24O5S/c1-24-18-9-4-16(5-10-18)14-27-19(21-25-12-13-26-21)11-6-15-2-7-17(8-3-15)20(22)23/h2-5,7-10,19,21H,6,11-14H2,1H3,(H,22,23)