(2-methanoyl-6-methoxy-phenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-methanoyl-6-methoxy-phenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-formyl-6-methoxy-phenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-formyl-6-methoxyphenyl) ester IUPAC Name: (2-formyl-6-methoxyphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-formyl-6-methoxy-phenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2OC)C=O)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2OC)C=O)Br

InChI

InChI=1S/C21H23BrO5/c1-3-4-5-6-12-26-18-11-10-15(13-17(18)22)21(24)27-20-16(14-23)8-7-9-19(20)25-2/h7-11,13-14H,3-6,12H2,1-2H3