methyl 5-bromanyl-2-(4-heptoxyphenyl)carbonyloxy-benzoate

Systemtic Name: methyl 5-bromanyl-2-(4-heptoxyphenyl)carbonyloxy-benzoate Openeye Name: methyl 5-bromo-2-(4-heptoxybenzoyl)oxy-benzoate CAS Name: 5-bromo-2-[(4-heptoxyphenyl)-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(4-heptoxybenzoyl)oxybenzoate Traditional Name: 5-bromo-2-(4-heptoxybenzoyl)oxy-benzoic acid methyl ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrO5/c1-3-4-5-6-7-14-27-18-11-8-16(9-12-18)21(24)28-20-13-10-17(23)15-19(20)22(25)26-2/h8-13,15H,3-7,14H2,1-2H3