[3,4,5-triacetyloxy-6-[4-chloranyl-2-(phenylmethyl)phenoxy]thian-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[4-chloranyl-2-(phenylmethyl)phenoxy]thian-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-benzyl-4-chloro-phenoxy)tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[4-chloro-2-(phenylmethyl)phenoxy]-2-thianyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-benzyl-4-chlorophenoxy)thian-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-benzyl-4-chloro-phenoxy)tetrahydrothiopyran-2-yl]methyl ester Formula: C27H29ClO9S MolecularWeight: 565.03176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(S1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(S1)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H29ClO9S/c1-15(29)33-14-23-24(34-16(2)30)25(35-17(3)31)26(36-18(4)32)27(38-23)37-22-11-10-21(28)13-20(22)12-19-8-6-5-7-9-19/h5-11,13,23-27H,12,14H2,1-4H3