2-[9-[2,6-bis(bromanyl)-4-cyano-phenoxy]carbonylacridin-10-ium-10-yl]ethanoic acid

Systemtic Name: 2-[9-[2,6-bis(bromanyl)-4-cyano-phenoxy]carbonylacridin-10-ium-10-yl]ethanoic acid Openeye Name: 2-[9-(2,6-dibromo-4-cyano-phenoxy)carbonylacridin-10-ium-10-yl]acetic acid CAS Name: 2-[9-[(2,6-dibromo-4-cyanophenoxy)-oxomethyl]-10-acridin-10-iumyl]acetic acid IUPAC Name: 2-[9-(2,6-dibromo-4-cyanophenoxy)carbonylacridin-10-ium-10-yl]acetic acid Traditional Name: 2-[9-(2,6-dibromo-4-cyano-phenoxy)carbonylacridin-10-ium-10-yl]acetic acid Formula: C23H13Br2N2O4+ MolecularWeight: 541.16832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2CC(=O)O)C(=O)OC4=C(C=C(C=C4Br)C#N)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2CC(=O)O)C(=O)OC4=C(C=C(C=C4Br)C#N)Br

InChI

InChI=1S/C23H12Br2N2O4/c24-16-9-13(11-26)10-17(25)22(16)31-23(30)21-14-5-1-3-7-18(14)27(12-20(28)29)19-8-4-2-6-15(19)21/h1-10H,12H2/p+1