2-[(3,5-dibutyl-4-oxidanyl-phenyl)methyl]icosanoate

Systemtic Name: 2-[(3,5-dibutyl-4-oxidanyl-phenyl)methyl]icosanoate Openeye Name: 2-[(3,5-dibutyl-4-hydroxy-phenyl)methyl]icosanoate CAS Name: 2-[(3,5-dibutyl-4-hydroxyphenyl)methyl]eicosanoate IUPAC Name: 2-[(3,5-dibutyl-4-hydroxyphenyl)methyl]icosanoate Traditional Name: 2-(3,5-dibutyl-4-hydroxy-benzyl)arachidate Formula: C35H61O3- MolecularWeight: 529.85704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)CCCC)O)CCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)CCCC)O)CCCC)C(=O)[O-]

InChI

InChI=1S/C35H62O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33(35(37)38)29-30-27-31(24-8-5-2)34(36)32(28-30)25-9-6-3/h27-28,33,36H,4-26,29H2,1-3H3,(H,37,38)/p-1