2-[2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[2-cetyloxy-3-[(Z)-octadec-9-enoxy]propyl]isoindoline-1,3-quinone Formula: C45H77NO4 MolecularWeight: 696.09718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(CN1C(=O)C2=CC=CC=C2C1=O)COCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(CN1C(=O)C2=CC=CC=C2C1=O)COCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C45H77NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-33-37-49-40-41(39-46-44(47)42-35-31-32-36-43(42)45(46)48)50-38-34-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h17,19,31-32,35-36,41H,3-16,18,20-30,33-34,37-40H2,1-2H3/b19-17-