5-(1-adamantyl)-2-[2,5-bis(chloranyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-[2,5-bis(chloranyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(2,5-dichlorophenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(2,5-dichlorophenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(2,5-dichlorophenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(2,5-dichlorophenyl)isoindoline-1,3-quinone Formula: C24H21Cl2NO2 MolecularWeight: 426.33504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=C(C=CC(=C6)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=C(C=CC(=C6)Cl)Cl

InChI

InChI=1S/C24H21Cl2NO2/c25-17-2-4-20(26)21(9-17)27-22(28)18-3-1-16(8-19(18)23(27)29)24-10-13-5-14(11-24)7-15(6-13)12-24/h1-4,8-9,13-15H,5-7,10-12H2