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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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