4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C#CC2=CC=C(C=C2)C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C#CC2=CC=C(C=C2)C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H26O4/c1-27(2,3)23-17-21(19-8-6-5-7-9-19)16-22(25(23)31-4)24(28)15-12-18-10-13-20(14-11-18)26(29)30/h5-11,13-14,16-17,24,28H,1-4H3,(H,29,30)