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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC)Br

InChI

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