[2,4-bis(bromanyl)-6-methyl-phenyl] 4-heptoxybenzoate

Systemtic Name: [2,4-bis(bromanyl)-6-methyl-phenyl] 4-heptoxybenzoate Openeye Name: (2,4-dibromo-6-methyl-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (2,4-dibromo-6-methylphenyl) ester IUPAC Name: (2,4-dibromo-6-methylphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (2,4-dibromo-6-methyl-phenyl) ester Formula: C21H24Br2O3 MolecularWeight: 484.22146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Br2O3/c1-3-4-5-6-7-12-25-18-10-8-16(9-11-18)21(24)26-20-15(2)13-17(22)14-19(20)23/h8-11,13-14H,3-7,12H2,1-2H3