ethyl 7-(4-bromanyl-2-methyl-phenyl)-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-(4-bromanyl-2-methyl-phenyl)-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-(4-bromo-2-methyl-phenyl)-7-oxo-heptanoate CAS Name: 7-(4-bromo-2-methylphenyl)-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-(4-bromo-2-methylphenyl)-7-oxoheptanoate Traditional Name: 7-(4-bromo-2-methyl-phenyl)-7-keto-enanthic acid ethyl ester Formula: C16H21BrO3 MolecularWeight: 341.24014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(=O)C1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCOC(=O)CCCCCC(=O)C1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C16H21BrO3/c1-3-20-16(19)8-6-4-5-7-15(18)14-10-9-13(17)11-12(14)2/h9-11H,3-8H2,1-2H3