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

Systemtic Name: 2-[(3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)methyl]icosanoic acid Openeye Name: 2-[(3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)methyl]icosanoic acid CAS Name: 2-[(3,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)methyl]eicosanoic acid IUPAC Name: 2-[(3,4-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-yl)methyl]icosanoic acid Traditional Name: 2-[(3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)methyl]arachidic acid Formula: C35H64O3 MolecularWeight: 532.88086

Click to see the large picture

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)