2,5-bis(bromanyl)-4-(2-ethylhexoxycarbonyl)benzoic acid

Systemtic Name: 2,5-bis(bromanyl)-4-(2-ethylhexoxycarbonyl)benzoic acid Openeye Name: 2,5-dibromo-4-(2-ethylhexoxycarbonyl)benzoic acid CAS Name: 2,5-dibromo-4-[2-ethylhexoxy(oxo)methyl]benzoic acid IUPAC Name: 2,5-dibromo-4-(2-ethylhexoxycarbonyl)benzoic acid Traditional Name: 2,5-dibromo-4-(2-ethylhexoxycarbonyl)benzoic acid Formula: C16H20Br2O4 MolecularWeight: 436.1356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(C=C(C(=C1)Br)C(=O)O)Br

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(C=C(C(=C1)Br)C(=O)O)Br

InChI

InChI=1S/C16H20Br2O4/c1-3-5-6-10(4-2)9-22-16(21)12-8-13(17)11(15(19)20)7-14(12)18/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)