1-[20-[2,5-bis(oxidanylidene)pyrrol-1-yl]-10,11-dioctyl-icosyl]pyrrole-2,5-dione

Systemtic Name: 1-[20-[2,5-bis(oxidanylidene)pyrrol-1-yl]-10,11-dioctyl-icosyl]pyrrole-2,5-dione Openeye Name: 1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctyl-icosyl]pyrrole-2,5-dione CAS Name: 1-[20-(2,5-dioxo-1-pyrrolyl)-10,11-dioctyleicosyl]pyrrole-2,5-dione IUPAC Name: 1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione Traditional Name: 1-(20-maleimido-10,11-dioctyl-eicosyl)-3-pyrroline-2,5-quinone Formula: C44H76N2O4 MolecularWeight: 697.08524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCN1C(=O)C=CC1=O)C(CCCCCCCC)CCCCCCCCCN2C(=O)C=CC2=O

Isomeric SMILES

CCCCCCCCC(CCCCCCCCCN1C(=O)C=CC1=O)C(CCCCCCCC)CCCCCCCCCN2C(=O)C=CC2=O

InChI

InChI=1S/C44H76N2O4/c1-3-5-7-9-17-23-29-39(31-25-19-13-11-15-21-27-37-45-41(47)33-34-42(45)48)40(30-24-18-10-8-6-4-2)32-26-20-14-12-16-22-28-38-46-43(49)35-36-44(46)50/h33-36,39-40H,3-32,37-38H2,1-2H3