(4-bromanyl-2-methyl-phenyl) 4-heptoxybenzoate

Systemtic Name: (4-bromanyl-2-methyl-phenyl) 4-heptoxybenzoate Openeye Name: (4-bromo-2-methyl-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-bromo-2-methylphenyl) ester IUPAC Name: (4-bromo-2-methylphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-bromo-2-methyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H25BrO3/c1-3-4-5-6-7-14-24-19-11-8-17(9-12-19)21(23)25-20-13-10-18(22)15-16(20)2/h8-13,15H,3-7,14H2,1-2H3