dimethyl 2-[(2-iodanyl-3-oxidanyl-phenyl)methyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(2-iodanyl-3-oxidanyl-phenyl)methyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(3-hydroxy-2-iodo-phenyl)methyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(3-hydroxy-2-iodophenyl)methyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-hydroxy-2-iodophenyl)methyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-(3-hydroxy-2-iodo-benzyl)-2-propargyl-malonic acid dimethyl ester Formula: C15H15IO5 MolecularWeight: 402.18107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15IO5/c1-4-8-15(13(18)20-2,14(19)21-3)9-10-6-5-7-11(17)12(10)16/h1,5-7,17H,8-9H2,2-3H3