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

Systemtic Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]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)C(C#CC2=CC=C(C=C2)C(=O)O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4/c1-21(2,3)17-13-16(10-12-19(17)25-4)18(22)11-7-14-5-8-15(9-6-14)20(23)24/h5-6,8-10,12-13,18,22H,1-4H3,(H,23,24)