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

Systemtic Name: [3-(3-tert-butyl-2-oxidanyl-5-phenyl-phenyl)-3-oxidanyl-prop-1-ynyl] benzoate Openeye Name: [3-(3-tert-butyl-2-hydroxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl] benzoate CAS Name: benzoic acid [3-(3-tert-butyl-2-hydroxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl] ester IUPAC Name: [3-(3-tert-butyl-2-hydroxy-5-phenylphenyl)-3-hydroxyprop-1-ynyl] benzoate Traditional Name: benzoic acid [3-(3-tert-butyl-2-hydroxy-5-phenyl-phenyl)-3-hydroxy-prop-1-ynyl] ester Formula: C26H24O4 MolecularWeight: 400.46636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C#COC(=O)C2=CC=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C#COC(=O)C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C26H24O4/c1-26(2,3)22-17-20(18-10-6-4-7-11-18)16-21(24(22)28)23(27)14-15-30-25(29)19-12-8-5-9-13-19/h4-13,16-17,23,27-28H,1-3H3