[2-bromanyl-6-(2-bromanyldodecanoyl)-4-methyl-phenyl] ethanoate

Systemtic Name: [2-bromanyl-6-(2-bromanyldodecanoyl)-4-methyl-phenyl] ethanoate Openeye Name: [2-bromo-6-(2-bromododecanoyl)-4-methyl-phenyl] acetate CAS Name: acetic acid [2-bromo-6-(2-bromo-1-oxododecyl)-4-methylphenyl] ester IUPAC Name: [2-bromo-6-(2-bromododecanoyl)-4-methylphenyl] acetate Traditional Name: acetic acid [2-bromo-6-(2-bromododecanoyl)-4-methyl-phenyl] ester Formula: C21H30Br2O3 MolecularWeight: 490.2691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C1=CC(=CC(=C1OC(=O)C)Br)C)Br

Isomeric SMILES

CCCCCCCCCCC(C(=O)C1=CC(=CC(=C1OC(=O)C)Br)C)Br

InChI

InChI=1S/C21H30Br2O3/c1-4-5-6-7-8-9-10-11-12-18(22)20(25)17-13-15(2)14-19(23)21(17)26-16(3)24/h13-14,18H,4-12H2,1-3H3