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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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