4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxo-prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-oxoprop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-oxoprop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-keto-prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)C#CC2=CC(=C(C=C2)C(=O)O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)C#CC2=CC(=C(C=C2)C(=O)O)O)OC

InChI

InChI=1S/C21H20O5/c1-21(2,3)16-12-14(7-10-19(16)26-4)17(22)9-6-13-5-8-15(20(24)25)18(23)11-13/h5,7-8,10-12,23H,1-4H3,(H,24,25)