methyl 2-[3-[2-(1,3-dithian-2-yl)-1-oxidanyl-2-phenyl-ethyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[2-(1,3-dithian-2-yl)-1-oxidanyl-2-phenyl-ethyl]phenoxy]ethanoate Openeye Name: methyl 2-[3-[2-(1,3-dithian-2-yl)-1-hydroxy-2-phenyl-ethyl]phenoxy]acetate CAS Name: 2-[3-[2-(1,3-dithian-2-yl)-1-hydroxy-2-phenylethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(1,3-dithian-2-yl)-1-hydroxy-2-phenylethyl]phenoxy]acetate Traditional Name: 2-[3-[2-(1,3-dithian-2-yl)-1-hydroxy-2-phenyl-ethyl]phenoxy]acetic acid methyl ester Formula: C21H24O4S2 MolecularWeight: 404.54286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1)C(C(C2SCCCS2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1)C(C(C2SCCCS2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H24O4S2/c1-24-18(22)14-25-17-10-5-9-16(13-17)20(23)19(15-7-3-2-4-8-15)21-26-11-6-12-27-21/h2-5,7-10,13,19-21,23H,6,11-12,14H2,1H3