5-[3,4-bis(chloranyl)phenoxy]-4-butyl-isoindole-1,3-dione

Systemtic Name: 5-[3,4-bis(chloranyl)phenoxy]-4-butyl-isoindole-1,3-dione Openeye Name: 4-butyl-5-(3,4-dichlorophenoxy)isoindoline-1,3-dione CAS Name: 4-butyl-5-(3,4-dichlorophenoxy)isoindole-1,3-dione IUPAC Name: 4-butyl-5-(3,4-dichlorophenoxy)isoindole-1,3-dione Traditional Name: 4-butyl-5-(3,4-dichlorophenoxy)isoindoline-1,3-quinone Formula: C18H15Cl2NO3 MolecularWeight: 364.2226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2NO3/c1-2-3-4-11-15(24-10-5-7-13(19)14(20)9-10)8-6-12-16(11)18(23)21-17(12)22/h5-9H,2-4H2,1H3,(H,21,22,23)