3-[2,6-bis(bromanyl)-4-propyl-phenoxy]carbonylphthalic acid

Systemtic Name: 3-[2,6-bis(bromanyl)-4-propyl-phenoxy]carbonylphthalic acid Openeye Name: 3-(2,6-dibromo-4-propyl-phenoxy)carbonylphthalic acid CAS Name: 3-[(2,6-dibromo-4-propylphenoxy)-oxomethyl]phthalic acid IUPAC Name: 3-(2,6-dibromo-4-propylphenoxy)carbonylphthalic acid Traditional Name: 3-(2,6-dibromo-4-propyl-phenoxy)carbonylphthalic acid Formula: C18H14Br2O6 MolecularWeight: 486.10816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)OC(=O)C2=CC=CC(=C2C(=O)O)C(=O)O)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)OC(=O)C2=CC=CC(=C2C(=O)O)C(=O)O)Br

InChI

InChI=1S/C18H14Br2O6/c1-2-4-9-7-12(19)15(13(20)8-9)26-18(25)11-6-3-5-10(16(21)22)14(11)17(23)24/h3,5-8H,2,4H2,1H3,(H,21,22)(H,23,24)