4,5-bis(bromanyl)-2-(2-methylheptan-2-yloxycarbonyl)benzoic acid

Systemtic Name: 4,5-bis(bromanyl)-2-(2-methylheptan-2-yloxycarbonyl)benzoic acid Openeye Name: 4,5-dibromo-2-(1,1-dimethylhexoxycarbonyl)benzoic acid CAS Name: 4,5-dibromo-2-[2-methylheptan-2-yloxy(oxo)methyl]benzoic acid IUPAC Name: 4,5-dibromo-2-(2-methylheptan-2-yloxycarbonyl)benzoic acid Traditional Name: 4,5-dibromo-2-(1,1-dimethylhexoxycarbonyl)benzoic acid Formula: C16H20Br2O4 MolecularWeight: 436.1356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)OC(=O)C1=CC(=C(C=C1C(=O)O)Br)Br

Isomeric SMILES

CCCCCC(C)(C)OC(=O)C1=CC(=C(C=C1C(=O)O)Br)Br

InChI

InChI=1S/C16H20Br2O4/c1-4-5-6-7-16(2,3)22-15(21)11-9-13(18)12(17)8-10(11)14(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)