2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-icosanoate

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-icosanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-oxo-icosanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxoeicosanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxoicosanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-keto-arachidate Formula: C35H59O4- MolecularWeight: 543.84056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C35H60O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(36)28(33(38)39)24-27-25-29(34(2,3)4)32(37)30(26-27)35(5,6)7/h25-26,28,37H,8-24H2,1-7H3,(H,38,39)/p-1