1-(2,2,4-trimethylhexyl)pyrrole-2,5-dione

Systemtic Name: 1-(2,2,4-trimethylhexyl)pyrrole-2,5-dione Openeye Name: 1-(2,2,4-trimethylhexyl)pyrrole-2,5-dione CAS Name: 1-(2,2,4-trimethylhexyl)pyrrole-2,5-dione IUPAC Name: 1-(2,2,4-trimethylhexyl)pyrrole-2,5-dione Traditional Name: 1-(2,2,4-trimethylhexyl)-3-pyrroline-2,5-quinone Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)(C)CN1C(=O)C=CC1=O

Isomeric SMILES

CCC(C)CC(C)(C)CN1C(=O)C=CC1=O

InChI

InChI=1S/C13H21NO2/c1-5-10(2)8-13(3,4)9-14-11(15)6-7-12(14)16/h6-7,10H,5,8-9H2,1-4H3