[3,4,5-triacetyloxy-6-[2-(4-bromanylphenoxy)ethylsulfanyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[2-(4-bromanylphenoxy)ethylsulfanyl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[2-(4-bromophenoxy)ethylsulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[2-(4-bromophenoxy)ethylthio]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[2-(4-bromophenoxy)ethylsulfanyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[2-(4-bromophenoxy)ethylthio]tetrahydropyran-2-yl]methyl ester Formula: C22H27BrO10S MolecularWeight: 563.41278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCOC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCCOC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H27BrO10S/c1-12(24)29-11-18-19(30-13(2)25)20(31-14(3)26)21(32-15(4)27)22(33-18)34-10-9-28-17-7-5-16(23)6-8-17/h5-8,18-22H,9-11H2,1-4H3