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

Systemtic Name: ethyl 4-[3-(3-tert-butyl-2-oxidanyl-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: ethyl 4-[3-(3-tert-butyl-2-hydroxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(3-tert-butyl-2-hydroxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-tert-butyl-2-hydroxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-2-hydroxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid ethyl ester Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C3=CC=CC=C3)C(C)(C)C)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC(C2=C(C(=CC(=C2)C3=CC=CC=C3)C(C)(C)C)O)O

InChI

InChI=1S/C28H28O4/c1-5-32-27(31)21-14-11-19(12-15-21)13-16-25(29)23-17-22(20-9-7-6-8-10-20)18-24(26(23)30)28(2,3)4/h6-12,14-15,17-18,25,29-30H,5H2,1-4H3