methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propanoate; methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propanoate; methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-propanoate; methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoic acid methyl ester; 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate; methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-propionic acid methyl ester; 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid methyl ester Formula: C73H114O12 MolecularWeight: 1183.67906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC

Isomeric SMILES

CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC

InChI

InChI=1S/C19H30O3.3C18H28O3/c1-12(17(21)22-8)9-13-10-14(18(2,3)4)16(20)15(11-13)19(5,6)7;3*1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-12,20H,9H2,1-8H3;3*10-11,20H,8-9H2,1-7H3