3-hexyl-1-(4-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-hexyl-1-(4-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-hexyl-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-hexyl-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-hexyl-1-(4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-hexyl-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=O)N(C1=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC1=CC(=O)N(C1=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H21NO2/c1-3-4-5-6-7-14-12-16(19)18(17(14)20)15-10-8-13(2)9-11-15/h8-12H,3-7H2,1-2H3