1-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl hexadecanoate

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl hexadecanoate Openeye Name: 1-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]ethyl hexadecanoate CAS Name: hexadecanoic acid 1-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolidinyl]ethyl ester IUPAC Name: 1-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl hexadecanoate Traditional Name: palmitic acid 1-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]ethyl ester Formula: C35H59NO4 MolecularWeight: 557.84726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)C1CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C1CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1

InChI

InChI=1S/C35H59NO4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(37)39-26(2)31-25-30(36-40-31)27-23-28(34(3,4)5)33(38)29(24-27)35(6,7)8/h23-24,26,31,36H,9-22,25H2,1-8H3