dimethyl 2-[(Z)-3-iodanyl-4-oxidanyl-but-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: dimethyl 2-[(Z)-3-iodanyl-4-oxidanyl-but-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate Openeye Name: dimethyl 2-[(Z)-4-hydroxy-3-iodo-but-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-[(Z)-4-hydroxy-3-iodobut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-4-hydroxy-3-iodobut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-[(Z)-4-hydroxy-3-iodo-but-2-enyl]-2-(3-phenylprop-2-ynyl)malonic acid dimethyl ester Formula: C18H19IO5 MolecularWeight: 442.24493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C(CO)I)(CC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C(/CO)\I)(CC#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H19IO5/c1-23-16(21)18(17(22)24-2,12-10-15(19)13-20)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,20H,11-13H2,1-2H3/b15-10-