2,6-ditert-butyl-4-[2-oxidanylidene-2-[2-[1-(2-tetradecanoyloxyethyl)pyrrolidin-1-ium-1-yl]ethoxy]ethyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[2-oxidanylidene-2-[2-[1-(2-tetradecanoyloxyethyl)pyrrolidin-1-ium-1-yl]ethoxy]ethyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[2-oxo-2-[2-[1-(2-tetradecanoyloxyethyl)pyrrolidin-1-ium-1-yl]ethoxy]ethyl]phenolate CAS Name: 2,6-ditert-butyl-4-[2-oxo-2-[2-[1-[2-(1-oxotetradecoxy)ethyl]-1-pyrrolidin-1-iumyl]ethoxy]ethyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[2-oxo-2-[2-[1-(2-tetradecanoyloxyethyl)pyrrolidin-1-ium-1-yl]ethoxy]ethyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[2-keto-2-[2-[1-(2-tetradecanoyloxyethyl)pyrrolidin-1-ium-1-yl]ethoxy]ethyl]phenolate Formula: C38H65NO5 MolecularWeight: 615.9264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC[N+]1(CCCC1)CCOC(=O)CC2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC[N+]1(CCCC1)CCOC(=O)CC2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C

InChI

InChI=1S/C38H65NO5/c1-8-9-10-11-12-13-14-15-16-17-18-21-34(40)43-26-24-39(22-19-20-23-39)25-27-44-35(41)30-31-28-32(37(2,3)4)36(42)33(29-31)38(5,6)7/h28-29H,8-27,30H2,1-7H3