2-[(3,4-ditert-butylphenyl)methyl]icosanoic acid

Systemtic Name: 2-[(3,4-ditert-butylphenyl)methyl]icosanoic acid Openeye Name: 2-[(3,4-ditert-butylphenyl)methyl]icosanoic acid CAS Name: 2-[(3,4-ditert-butylphenyl)methyl]eicosanoic acid IUPAC Name: 2-[(3,4-ditert-butylphenyl)methyl]icosanoic acid Traditional Name: 2-(3,4-ditert-butylbenzyl)arachidic acid Formula: C35H62O2 MolecularWeight: 514.86558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1)C(C)(C)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1)C(C)(C)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C35H62O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33(36)37)27-29-25-26-31(34(2,3)4)32(28-29)35(5,6)7/h25-26,28,30H,8-24,27H2,1-7H3,(H,36,37)