[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-oxidanyloctanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-oxidanyloctanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-hydroxyoctanoate CAS Name: 4-hydroxyoctanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-hydroxyoctanoate Traditional Name: 4-hydroxycaprylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OCC(=O)C1=CC=C(C=C1)Br)O

Isomeric SMILES

CCCCC(CCC(=O)OCC(=O)C1=CC=C(C=C1)Br)O

InChI

InChI=1S/C16H21BrO4/c1-2-3-4-14(18)9-10-16(20)21-11-15(19)12-5-7-13(17)8-6-12/h5-8,14,18H,2-4,9-11H2,1H3