2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]prop-2-enoic acid; methane

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]prop-2-enoic acid; methane Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]prop-2-enoic acid; methane CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-propenoic acid; methane IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid; methane Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)acrylic acid; methane Formula: C73H108O12 MolecularWeight: 1177.63142

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Descriptors Computed from Structure

Canonical SMILES:

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

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.CH4/c4*1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7;/h4*9-10,19H,1,8H2,2-7H3,(H,20,21);1H4