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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate; methane Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate; methane CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate; methane IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate; methane Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionate; methane Formula: C18H29O3- MolecularWeight: 293.42106

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)[O-]

Isomeric SMILES

C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)[O-]

InChI

InChI=1S/C17H26O3.CH4/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;/h9-10,20H,7-8H2,1-6H3,(H,18,19);1H4/p-1