dimethyl 2-[(E)-2-iodanylethenyl]-2-oct-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(E)-2-iodanylethenyl]-2-oct-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(E)-2-iodovinyl]-2-oct-2-ynyl-propanedioate CAS Name: 2-[(E)-2-iodoethenyl]-2-oct-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-2-iodoethenyl]-2-oct-2-ynylpropanedioate Traditional Name: 2-[(E)-2-iodovinyl]-2-oct-2-ynyl-malonic acid dimethyl ester Formula: C15H21IO4 MolecularWeight: 392.22931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C=CI)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCC#CCC(/C=C/I)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C15H21IO4/c1-4-5-6-7-8-9-10-15(11-12-16,13(17)19-2)14(18)20-3/h11-12H,4-7,10H2,1-3H3/b12-11+