(4-bromanyl-2,6-dimethyl-phenyl) 4-heptoxybenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-heptoxybenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C22H27BrO3/c1-4-5-6-7-8-13-25-20-11-9-18(10-12-20)22(24)26-21-16(2)14-19(23)15-17(21)3/h9-12,14-15H,4-8,13H2,1-3H3