4-[2-[[3,5-bis(bromanyl)phenyl]carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[[3,5-bis(bromanyl)phenyl]carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(3,5-dibromobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(3,5-dibromophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(3,5-dibromobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(3,5-dibromobenzoyl)amino]phenoxy]phthalic acid Formula: C21H13Br2NO6 MolecularWeight: 535.13902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)Br)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC(=C2)Br)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13Br2NO6/c22-12-7-11(8-13(23)9-12)19(25)24-17-3-1-2-4-18(17)30-14-5-6-15(20(26)27)16(10-14)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)