penta-1,3-diynyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: penta-1,3-diynyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: penta-1,3-diynyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid penta-1,3-diynyl ester IUPAC Name: penta-1,3-diynyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid penta-1,3-diynyl ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC#CC#COC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H28O3/c1-8-9-10-13-25-19(23)12-11-16-14-17(21(2,3)4)20(24)18(15-16)22(5,6)7/h14-15,24H,11-12H2,1-7H3