methyl (2Z)-2-(iodanylmethylidene)-3-oxidanyl-3-phenyl-butanoate

Systemtic Name: methyl (2Z)-2-(iodanylmethylidene)-3-oxidanyl-3-phenyl-butanoate Openeye Name: methyl (2Z)-3-hydroxy-2-(iodomethylene)-3-phenyl-butanoate CAS Name: (2Z)-3-hydroxy-2-(iodomethylidene)-3-phenylbutanoic acid methyl ester IUPAC Name: methyl (2Z)-3-hydroxy-2-(iodomethylidene)-3-phenylbutanoate Traditional Name: (Z)-2-(1-hydroxy-1-phenyl-ethyl)-3-iodo-acrylic acid methyl ester Formula: C12H13IO3 MolecularWeight: 332.13429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=CI)C(=O)OC)O

Isomeric SMILES

CC(C1=CC=CC=C1)(/C(=C/I)/C(=O)OC)O

InChI

InChI=1S/C12H13IO3/c1-12(15,9-6-4-3-5-7-9)10(8-13)11(14)16-2/h3-8,15H,1-2H3/b10-8+