iodanylmethane; 3-oxidanylidene-2-phenyl-3-propan-2-yloxy-propanoate

Systemtic Name: iodanylmethane; 3-oxidanylidene-2-phenyl-3-propan-2-yloxy-propanoate Openeye Name: iodomethane; 3-isopropoxy-3-oxo-2-phenyl-propanoate CAS Name: iodomethane; 3-oxo-2-phenyl-3-propan-2-yloxypropanoate IUPAC Name: iodomethane; 3-oxo-2-phenyl-3-propan-2-yloxypropanoate Traditional Name: iodomethane; 3-isopropoxy-3-keto-2-phenyl-propionate Formula: C13H16IO4- MolecularWeight: 363.16821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C1=CC=CC=C1)C(=O)[O-].CI

Isomeric SMILES

CC(C)OC(=O)C(C1=CC=CC=C1)C(=O)[O-].CI

InChI

InChI=1S/C12H14O4.CH3I/c1-8(2)16-12(15)10(11(13)14)9-6-4-3-5-7-9;1-2/h3-8,10H,1-2H3,(H,13,14);1H3/p-1