[(E,2S,3S,5R)-2-iodanyl-8-methoxy-3,5-bis(oxidanyl)-8-oxidanylidene-oct-6-enyl] benzoate

Systemtic Name: [(E,2S,3S,5R)-2-iodanyl-8-methoxy-3,5-bis(oxidanyl)-8-oxidanylidene-oct-6-enyl] benzoate Openeye Name: [(E,2S,3S,5R)-3,5-dihydroxy-2-iodo-8-methoxy-8-oxo-oct-6-enyl] benzoate CAS Name: benzoic acid [(E,2S,3S,5R)-3,5-dihydroxy-2-iodo-8-methoxy-8-oxooct-6-enyl] ester IUPAC Name: [(E,2S,3S,5R)-3,5-dihydroxy-2-iodo-8-methoxy-8-oxooct-6-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3S,5R)-3,5-dihydroxy-2-iodo-8-keto-8-methoxy-oct-6-enyl] ester Formula: C16H19IO6 MolecularWeight: 434.22293

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC(C(COC(=O)C1=CC=CC=C1)I)O)O

Isomeric SMILES

COC(=O)/C=C/[C@@H](C[C@@H]([C@H](COC(=O)C1=CC=CC=C1)I)O)O

InChI

InChI=1S/C16H19IO6/c1-22-15(20)8-7-12(18)9-14(19)13(17)10-23-16(21)11-5-3-2-4-6-11/h2-8,12-14,18-19H,9-10H2,1H3/b8-7+/t12-,13-,14-/m0/s1