2-[3-[1-(3-chlorophenyl)-3-oxidanyl-2-oxidanylidene-3H-indol-1-ium-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[1-(3-chlorophenyl)-3-oxidanyl-2-oxidanylidene-3H-indol-1-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[1-(3-chlorophenyl)-3-hydroxy-2-oxo-indolin-1-ium-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[1-(3-chlorophenyl)-3-hydroxy-2-oxo-3H-indol-1-ium-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[1-(3-chlorophenyl)-3-hydroxy-2-oxo-3H-indol-1-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[1-(3-chlorophenyl)-3-hydroxy-2-keto-indolin-1-ium-1-yl]propyl]isoindoline-1,3-quinone Formula: C25H20ClN2O4+ MolecularWeight: 447.8903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)[N+]2(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)[N+]2(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl)O

InChI

InChI=1S/C25H20ClN2O4/c26-16-7-5-8-17(15-16)28(21-12-4-3-11-20(21)22(29)25(28)32)14-6-13-27-23(30)18-9-1-2-10-19(18)24(27)31/h1-5,7-12,15,22,29H,6,13-14H2/q+1