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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C22H19Cl4NO4/c1-2-3-4-5-6-7-14(28)31-13-10-8-12(9-11-13)27-21(29)15-16(22(27)30)18(24)20(26)19(25)17(15)23/h8-11H,2-7H2,1H3