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

Systemtic Name: 2-[(3,5-ditert-butyl-5-methyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)methyl]-3-hexyl-dodecanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-5-methyl-cyclohexa-1,3-dien-1-yl)methyl]-3-hexyl-dodecanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxy-5-methyl-1-cyclohexa-1,3-dienyl)methyl]-3-hexyldodecanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxy-5-methylcyclohexa-1,3-dien-1-yl)methyl]-3-hexyldodecanoate Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-5-methyl-cyclohexa-1,3-dien-1-yl)methyl]-3-hexyl-laurate Formula: C34H61O3- MolecularWeight: 517.84634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)C(CC1=CC(=C(C(C1)(C)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCC)C(CC1=CC(=C(C(C1)(C)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C34H62O3/c1-10-12-14-16-17-18-20-22-27(21-19-15-13-11-2)28(31(36)37)23-26-24-29(32(3,4)5)30(35)34(9,25-26)33(6,7)8/h24,27-28,35H,10-23,25H2,1-9H3,(H,36,37)/p-1