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

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pentanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]pentanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)valerate Formula: C20H31O3- MolecularWeight: 319.45834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O3/c1-8-9-14(18(22)23)10-13-11-15(19(2,3)4)17(21)16(12-13)20(5,6)7/h11-12,14,21H,8-10H2,1-7H3,(H,22,23)/p-1