2-[3,4-bis[2-(dioctadecylamino)ethyl]-2-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate

Systemtic Name: 2-[3,4-bis[2-(dioctadecylamino)ethyl]-2-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate Openeye Name: 2-[3,4-bis[2-(dioctadecylamino)ethyl]-2-(2-oxido-2-oxo-ethyl)phenyl]acetate CAS Name: 2-[3,4-bis[2-(dioctadecylamino)ethyl]-2-(2-oxido-2-oxoethyl)phenyl]acetate IUPAC Name: 2-[3,4-bis[2-(dioctadecylamino)ethyl]-2-(2-oxido-2-oxoethyl)phenyl]acetate Traditional Name: 2-[3,4-bis[2-(distearylamino)ethyl]-2-(2-keto-2-oxido-ethyl)phenyl]acetate Formula: C86H162N2O4-2 MolecularWeight: 1288.21748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCC1=C(C(=C(C=C1)CC(=O)[O-])CC(=O)[O-])CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCC1=C(C(=C(C=C1)CC(=O)[O-])CC(=O)[O-])CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C86H164N2O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73-87(74-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)77-71-81-69-70-82(79-85(89)90)84(80-86(91)92)83(81)72-78-88(75-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h69-70H,5-68,71-80H2,1-4H3,(H,89,90)(H,91,92)/p-2