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

Systemtic Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O4/c1-9-31-25(29)19-13-10-18(11-14-19)12-15-23(28)21-16-20(26(2,3)4)17-22(24(21)30-8)27(5,6)7/h10-11,13-14,16-17,23,28H,9H2,1-8H3