[4,5-diacetyloxy-2-(iodanylmethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-2-(iodanylmethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyl-oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[(E)-cinnamyl]sulfanyl-2-(iodomethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-2-(iodomethyl)-6-[[(E)-3-phenylprop-2-enyl]thio]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-2-(iodomethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[(E)-cinnamyl]thio]-2-(iodomethyl)tetrahydropyran-3-yl] ester Formula: C21H25IO7S MolecularWeight: 548.38847

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)SCC=CC2=CC=CC=C2)CI

Isomeric SMILES

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)SC/C=C/C2=CC=CC=C2)CI

InChI

InChI=1S/C21H25IO7S/c1-13(23)26-18-17(12-22)29-21(20(28-15(3)25)19(18)27-14(2)24)30-11-7-10-16-8-5-4-6-9-16/h4-10,17-21H,11-12H2,1-3H3/b10-7+