2-[1-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]hexadecanoic acid

Systemtic Name: 2-[1-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]hexadecanoic acid Openeye Name: 2-[1-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid CAS Name: 2-[1-(2,5-dioxo-1-pyrrolyl)ethyl]hexadecanoic acid IUPAC Name: 2-[1-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid Traditional Name: 2-(1-maleimidoethyl)palmitic acid Formula: C22H37NO4 MolecularWeight: 379.53348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C)N1C(=O)C=CC1=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C)N1C(=O)C=CC1=O)C(=O)O

InChI

InChI=1S/C22H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22(26)27)18(2)23-20(24)16-17-21(23)25/h16-19H,3-15H2,1-2H3,(H,26,27)