2-[9-(hydroxymethyl)-8-oxidanylidene-undecyl]isoindole-1,3-dione

Systemtic Name: 2-[9-(hydroxymethyl)-8-oxidanylidene-undecyl]isoindole-1,3-dione Openeye Name: 2-[9-(hydroxymethyl)-8-oxo-undecyl]isoindoline-1,3-dione CAS Name: 2-[9-(hydroxymethyl)-8-oxoundecyl]isoindole-1,3-dione IUPAC Name: 2-[9-(hydroxymethyl)-8-oxoundecyl]isoindole-1,3-dione Traditional Name: 2-(8-keto-9-methylol-undecyl)isoindoline-1,3-quinone Formula: C20H27NO4 MolecularWeight: 345.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C(=O)CCCCCCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCC(CO)C(=O)CCCCCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C20H27NO4/c1-2-15(14-22)18(23)12-6-4-3-5-9-13-21-19(24)16-10-7-8-11-17(16)20(21)25/h7-8,10-11,15,22H,2-6,9,12-14H2,1H3