methyl 7-bromanyl-3-methyl-3-phenyl-heptanoate

Systemtic Name: methyl 7-bromanyl-3-methyl-3-phenyl-heptanoate Openeye Name: methyl 7-bromo-3-methyl-3-phenyl-heptanoate CAS Name: 7-bromo-3-methyl-3-phenylheptanoic acid methyl ester IUPAC Name: methyl 7-bromo-3-methyl-3-phenylheptanoate Traditional Name: 7-bromo-3-methyl-3-phenyl-enanthic acid methyl ester Formula: C15H21BrO2 MolecularWeight: 313.23004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCBr)(CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(CCCCBr)(CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C15H21BrO2/c1-15(10-6-7-11-16,12-14(17)18-2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3