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

Systemtic Name: 2-[2,4-bis[2-(didodecylamino)ethyl]-3-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate Openeye Name: 2-[2,4-bis[2-(didodecylamino)ethyl]-3-(2-oxido-2-oxo-ethyl)phenyl]acetate CAS Name: 2-[2,4-bis[2-(didodecylamino)ethyl]-3-(2-oxido-2-oxoethyl)phenyl]acetate IUPAC Name: 2-[2,4-bis[2-(didodecylamino)ethyl]-3-(2-oxido-2-oxoethyl)phenyl]acetate Traditional Name: 2-[2,4-bis[2-(dilaurylamino)ethyl]-3-(2-keto-2-oxido-ethyl)phenyl]acetate Formula: C62H114N2O4-2 MolecularWeight: 951.57956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCC1=C(C(=C(C=C1)CC(=O)[O-])CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCC1=C(C(=C(C=C1)CC(=O)[O-])CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC(=O)[O-]

InChI

InChI=1S/C62H116N2O4/c1-5-9-13-17-21-25-29-33-37-41-49-63(50-42-38-34-30-26-22-18-14-10-6-2)53-47-57-45-46-58(55-61(65)66)59(60(57)56-62(67)68)48-54-64(51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4/h45-46H,5-44,47-56H2,1-4H3,(H,65,66)(H,67,68)/p-2