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

Systemtic Name: [3,4,5-triacetyloxy-6-[4-bromanyl-2-(phenylcarbonyl)phenoxy]thian-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-benzoyl-4-bromo-phenoxy)tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-benzoyl-4-bromophenoxy)-2-thianyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-benzoyl-4-bromophenoxy)thian-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-benzoyl-4-bromo-phenoxy)tetrahydrothiopyran-2-yl]methyl ester Formula: C27H27BrO10S MolecularWeight: 623.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27BrO10S/c1-14(29)34-13-22-24(35-15(2)30)25(36-16(3)31)26(37-17(4)32)27(39-22)38-21-11-10-19(28)12-20(21)23(33)18-8-6-5-7-9-18/h5-12,22,24-27H,13H2,1-4H3