2,5-dibutyl-3,6-dimethyl-phenol; 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]prop-2-enoic acid

Systemtic Name: 2,5-dibutyl-3,6-dimethyl-phenol; 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]prop-2-enoic acid Openeye Name: 2,5-dibutyl-3,6-dimethyl-phenol; 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]prop-2-enoic acid CAS Name: 2,5-dibutyl-3,6-dimethylphenol; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-propenoic acid IUPAC Name: 2,5-dibutyl-3,6-dimethylphenol; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid Traditional Name: 2,5-dibutyl-3,6-dimethyl-phenol; 2-(3,5-ditert-butyl-4-hydroxy-benzyl)acrylic acid Formula: C88H130O13 MolecularWeight: 1395.966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C)CCCC)O)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C)CCCC)O)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=C)C(=O)O

InChI

InChI=1S/4C18H26O3.C16H26O/c4*1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7;1-5-7-9-14-11-12(3)15(10-8-6-2)16(17)13(14)4/h4*9-10,19H,1,8H2,2-7H3,(H,20,21);11,17H,5-10H2,1-4H3