octan-2-yl 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: octan-2-yl 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: 1-methylheptyl 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid 1-methylheptyl ester Formula: C18H25BrO3 MolecularWeight: 369.2933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCC(C)OC(=O)CCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H25BrO3/c1-3-4-5-6-7-14(2)22-18(21)13-12-17(20)15-8-10-16(19)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3