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

Systemtic Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)prop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)prop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4/c1-21(2,3)17-12-14(9-11-19(17)25-4)6-5-7-15-8-10-16(20(23)24)18(22)13-15/h8-13,22H,6H2,1-4H3,(H,23,24)