1-dodecan-4-yl-3-phenyl-pyrrole-2,5-dione

Systemtic Name: 1-dodecan-4-yl-3-phenyl-pyrrole-2,5-dione Openeye Name: 3-phenyl-1-(1-propylnonyl)pyrrole-2,5-dione CAS Name: 1-dodecan-4-yl-3-phenylpyrrole-2,5-dione IUPAC Name: 1-dodecan-4-yl-3-phenylpyrrole-2,5-dione Traditional Name: 3-phenyl-1-(1-propylnonyl)-3-pyrroline-2,5-quinone Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)N1C(=O)C=C(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(CCC)N1C(=O)C=C(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO2/c1-3-5-6-7-8-12-16-19(13-4-2)23-21(24)17-20(22(23)25)18-14-10-9-11-15-18/h9-11,14-15,17,19H,3-8,12-13,16H2,1-2H3