heptyl 3-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: heptyl 3-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: heptyl 3-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)benzoic acid heptyl ester IUPAC Name: heptyl 3-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)benzoic acid heptyl ester Formula: C22H19Cl4NO4 MolecularWeight: 503.20256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C22H19Cl4NO4/c1-2-3-4-5-6-10-31-22(30)12-8-7-9-13(11-12)27-20(28)14-15(21(27)29)17(24)19(26)18(25)16(14)23/h7-9,11H,2-6,10H2,1H3