2-butyl-4-chloranyl-isoindole-1,3-dione; 2-butyl-5-chloranyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-4-chloranyl-isoindole-1,3-dione; 2-butyl-5-chloranyl-isoindole-1,3-dione Openeye Name: 2-butyl-4-chloro-isoindoline-1,3-dione; 2-butyl-5-chloro-isoindoline-1,3-dione CAS Name: 2-butyl-4-chloroisoindole-1,3-dione; 2-butyl-5-chloroisoindole-1,3-dione IUPAC Name: 2-butyl-4-chloroisoindole-1,3-dione; 2-butyl-5-chloroisoindole-1,3-dione Traditional Name: 2-butyl-4-chloro-isoindoline-1,3-quinone; 2-butyl-5-chloro-isoindoline-1,3-quinone Formula: C24H24Cl2N2O4 MolecularWeight: 475.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)Cl.CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)Cl.CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)Cl

InChI

InChI=1S/2C12H12ClNO2/c1-2-3-7-14-11(15)8-5-4-6-9(13)10(8)12(14)16;1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4-6H,2-3,7H2,1H3;4-5,7H,2-3,6H2,1H3