ethyl 2-[(4-iodophenyl)methyl]-3-oxidanylidene-heptanoate

Systemtic Name: ethyl 2-[(4-iodophenyl)methyl]-3-oxidanylidene-heptanoate Openeye Name: ethyl 2-[(4-iodophenyl)methyl]-3-oxo-heptanoate CAS Name: 2-[(4-iodophenyl)methyl]-3-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodophenyl)methyl]-3-oxoheptanoate Traditional Name: 2-(4-iodobenzyl)-3-keto-enanthic acid ethyl ester Formula: C16H21IO3 MolecularWeight: 388.24061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)I)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)I)C(=O)OCC

InChI

InChI=1S/C16H21IO3/c1-3-5-6-15(18)14(16(19)20-4-2)11-12-7-9-13(17)10-8-12/h7-10,14H,3-6,11H2,1-2H3