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

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-octyl-dodecanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-octyl-dodecanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-octyldodecanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-octyldodecanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-octyl-laurate Formula: C35H61O3- MolecularWeight: 529.85704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62O3/c1-9-11-13-15-17-19-21-23-28(22-20-18-16-14-12-10-2)29(33(37)38)24-27-25-30(34(3,4)5)32(36)31(26-27)35(6,7)8/h25-26,28-29,36H,9-24H2,1-8H3,(H,37,38)/p-1