[4,5-diacetyloxy-6-[(4-cyanophenyl)-iodanyl-methyl]thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[(4-cyanophenyl)-iodanyl-methyl]thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[(4-cyanophenyl)-iodo-methyl]tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(4-cyanophenyl)-iodomethyl]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-[(4-cyanophenyl)-iodomethyl]thian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[(4-cyanophenyl)-iodo-methyl]tetrahydrothiopyran-3-yl] ester Formula: C19H20INO6S MolecularWeight: 517.33467

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)C(C2=CC=C(C=C2)C#N)I

Isomeric SMILES

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)C(C2=CC=C(C=C2)C#N)I

InChI

InChI=1S/C19H20INO6S/c1-10(22)25-15-9-28-19(16(20)14-6-4-13(8-21)5-7-14)18(27-12(3)24)17(15)26-11(2)23/h4-7,15-19H,9H2,1-3H3