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

Systemtic Name: 4-[3-(3-tert-butyl-4-oxidanyl-phenyl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-hydroxy-phenyl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-(3-tert-butyl-4-hydroxyphenyl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-hydroxyphenyl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-hydroxy-phenyl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C20H20O5 MolecularWeight: 340.3698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5/c1-20(2,3)15-11-13(6-9-17(15)22)16(21)8-5-12-4-7-14(19(24)25)18(23)10-12/h4,6-7,9-11,16,21-23H,1-3H3,(H,24,25)