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

Systemtic Name: heptyl 4-[4,5,6,7-tetrakis(bromanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: heptyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4,5,6,7-tetrabromo-1,3-dioxo-2-isoindolyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(4,5,6,7-tetrabromo-1,3-diketo-isoindolin-2-yl)benzoic acid heptyl ester Formula: C22H19Br4NO4 MolecularWeight: 681.00656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

InChI

InChI=1S/C22H19Br4NO4/c1-2-3-4-5-6-11-31-22(30)12-7-9-13(10-8-12)27-20(28)14-15(21(27)29)17(24)19(26)18(25)16(14)23/h7-10H,2-6,11H2,1H3