2-[(E,2R)-1-oxidanyloctadec-3-en-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(E,2R)-1-oxidanyloctadec-3-en-2-yl]isoindole-1,3-dione Openeye Name: 2-[(E,1R)-1-(hydroxymethyl)heptadec-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E,2R)-1-hydroxyoctadec-3-en-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(E,2R)-1-hydroxyoctadec-3-en-2-yl]isoindole-1,3-dione Traditional Name: 2-[(E,1R)-1-methylolheptadec-2-enyl]isoindoline-1,3-quinone Formula: C26H39NO3 MolecularWeight: 413.59276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(CO)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(21-28)27-25(29)23-19-16-17-20-24(23)26(27)30/h15-20,22,28H,2-14,21H2,1H3/b18-15+/t22-/m1/s1