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

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

Systemtic Name:2-[(3,4-ditert-butylphenyl)methyl]icosanoate
Openeye Name:2-[(3,4-ditert-butylphenyl)methyl]icosanoate
CAS Name:2-[(3,4-ditert-butylphenyl)methyl]eicosanoate
IUPAC Name:2-[(3,4-ditert-butylphenyl)methyl]icosanoate
Traditional Name:2-(3,4-ditert-butylbenzyl)arachidate
Formula: C35H61O2-
MolecularWeight: 513.85764
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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)/p-1


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