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

Systemtic Name: 4-[3-[3-tert-butyl-2-(methoxymethoxy)-5-phenyl-phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-2-(methoxymethoxy)-5-phenyl-phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-2-(methoxymethoxy)-5-phenylphenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-2-(methoxymethoxy)-5-phenylphenyl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-2-(methoxymethoxy)-5-phenyl-phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C#CC2=CC=C(C=C2)C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C#CC2=CC=C(C=C2)C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H28O5/c1-28(2,3)24-17-22(20-8-6-5-7-9-20)16-23(26(24)33-18-32-4)25(29)15-12-19-10-13-21(14-11-19)27(30)31/h5-11,13-14,16-17,25,29H,18H2,1-4H3,(H,30,31)