Molecule ID: 1898724

IUPAC Name: 1-O-prop-2-ynyl 2-O-(2,4,6-tribromophenyl) benzene-1,2-dicarboxylate

Description: The molecule is a phthalate ester that is the mixed diester obtained by the formal condensation of carboxy groups of phthalic acid with hydroxy groups of 2,4,6-tribromophenol and prop-2-yn-1-ol respectively. It is an organobromine compound, a phthalate ester and a terminal acetylenic compound. It derives from a 2,4,6-tribromophenol and a prop-2-yn-1-ol.

SMILES: C#CCOC(=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1Br

SELFIES: [C][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br]

InChI: InChI=1S/C17H9Br3O4/c1-2-7-23-16(21)11-5-3-4-6-12(11)17(22)24-15-13(19)8-10(18)9-14(15)20/h1,3-6,8-9H,7H2

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 5.4