2-[(3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)methyl]icosanoate

Systemtic Name: 2-[(3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)methyl]icosanoate Openeye Name: 2-[(3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)methyl]icosanoate CAS Name: 2-[(3,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)methyl]eicosanoate IUPAC Name: 2-[(3,4-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-yl)methyl]icosanoate Traditional Name: 2-[(3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)methyl]arachidate Formula: C35H63O3- MolecularWeight: 531.87292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1C=CC(C(=C1)C(C)(C)C)(C(C)(C)C)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1C=CC(C(=C1)C(C)(C)C)(C(C)(C)C)O)C(=O)[O-]

InChI

InChI=1S/C35H64O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(32(36)37)27-29-25-26-35(38,34(5,6)7)31(28-29)33(2,3)4/h25-26,28-30,38H,8-24,27H2,1-7H3,(H,36,37)/p-1