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

Systemtic Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)prop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenylphenyl)prop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-2-methoxy-5-phenyl-phenyl)prop-1-ynyl]benzoic acid Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26O3/c1-27(2,3)24-18-23(20-10-6-5-7-11-20)17-22(25(24)30-4)12-8-9-19-13-15-21(16-14-19)26(28)29/h5-7,10-11,13-18H,12H2,1-4H3,(H,28,29)