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

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)methyl]icosanoate Openeye Name: 2-[(3,5-ditert-butyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]icosanoate CAS Name: 2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-1,5-dienyl)methyl]eicosanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]icosanoate Traditional Name: 2-[(3,5-ditert-butyl-4-keto-cyclohexa-1,5-dien-1-yl)methyl]arachidate Formula: C35H61O3- MolecularWeight: 529.85704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33(37)38)25-28-26-30(34(2,3)4)32(36)31(27-28)35(5,6)7/h26-27,29-30H,8-25H2,1-7H3,(H,37,38)/p-1