[2-(3-methyl-3-oxidanyl-but-1-ynyl)-4-(phenylcarbonyl)phenyl] benzoate

Systemtic Name: [2-(3-methyl-3-oxidanyl-but-1-ynyl)-4-(phenylcarbonyl)phenyl] benzoate Openeye Name: [4-benzoyl-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] benzoate CAS Name: benzoic acid [4-benzoyl-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] ester IUPAC Name: [4-benzoyl-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] benzoate Traditional Name: benzoic acid [4-benzoyl-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] ester Formula: C25H20O4 MolecularWeight: 384.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H20O4/c1-25(2,28)16-15-20-17-21(23(26)18-9-5-3-6-10-18)13-14-22(20)29-24(27)19-11-7-4-8-12-19/h3-14,17,28H,1-2H3