[2,4-bis(bromanyl)-6-methyl-phenyl] 3-butoxybenzoate

Systemtic Name: [2,4-bis(bromanyl)-6-methyl-phenyl] 3-butoxybenzoate Openeye Name: (2,4-dibromo-6-methyl-phenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (2,4-dibromo-6-methylphenyl) ester IUPAC Name: (2,4-dibromo-6-methylphenyl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (2,4-dibromo-6-methyl-phenyl) ester Formula: C18H18Br2O3 MolecularWeight: 442.14172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C18H18Br2O3/c1-3-4-8-22-15-7-5-6-13(10-15)18(21)23-17-12(2)9-14(19)11-16(17)20/h5-7,9-11H,3-4,8H2,1-2H3