2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]dodecanoate

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]dodecanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]dodecanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]dodecanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]dodecanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)laurate Formula: C27H45O3- MolecularWeight: 417.6444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O3/c1-8-9-10-11-12-13-14-15-16-21(25(29)30)17-20-18-22(26(2,3)4)24(28)23(19-20)27(5,6)7/h18-19,21,28H,8-17H2,1-7H3,(H,29,30)/p-1