ethyl 4-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)prop-1-ynyl]benzoate

Systemtic Name: ethyl 4-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)prop-1-ynyl]benzoate CAS Name: 4-[3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-1-ynyl]benzoate Traditional Name: 4-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)prop-1-ynyl]benzoic acid ethyl ester Formula: C26H32O3 MolecularWeight: 392.53048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CCC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CCC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C26H32O3/c1-8-29-24(28)19-14-12-18(13-15-19)10-9-11-20-16-21(25(2,3)4)17-22(23(20)27)26(5,6)7/h12-17,27H,8,11H2,1-7H3