2,6-ditert-butyl-4-[3-[2-(1-octylpyrrolidin-1-ium-1-yl)ethoxy]-3-oxidanylidene-propyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[3-[2-(1-octylpyrrolidin-1-ium-1-yl)ethoxy]-3-oxidanylidene-propyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[3-[2-(1-octylpyrrolidin-1-ium-1-yl)ethoxy]-3-oxo-propyl]phenolate CAS Name: 2,6-ditert-butyl-4-[3-[2-(1-octyl-1-pyrrolidin-1-iumyl)ethoxy]-3-oxopropyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[3-[2-(1-octylpyrrolidin-1-ium-1-yl)ethoxy]-3-oxopropyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[3-keto-3-[2-(1-octylpyrrolidin-1-ium-1-yl)ethoxy]propyl]phenolate Formula: C31H53NO3 MolecularWeight: 487.75742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C

Isomeric SMILES

CCCCCCCC[N+]1(CCCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C

InChI

InChI=1S/C31H53NO3/c1-8-9-10-11-12-13-18-32(19-14-15-20-32)21-22-35-28(33)17-16-25-23-26(30(2,3)4)29(34)27(24-25)31(5,6)7/h23-24H,8-22H2,1-7H3