diethyl 2-[[2-(3-acetyloxy-3,3-diphenyl-prop-1-ynyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[2-(3-acetyloxy-3,3-diphenyl-prop-1-ynyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[2-(3-acetoxy-3,3-diphenyl-prop-1-ynyl)phenyl]methyl]propanedioate CAS Name: 2-[[2-(3-acetyloxy-3,3-diphenylprop-1-ynyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(3-acetyloxy-3,3-diphenylprop-1-ynyl)phenyl]methyl]propanedioate Traditional Name: 2-[2-(3-acetoxy-3,3-diphenyl-prop-1-ynyl)benzyl]malonic acid diethyl ester Formula: C31H30O6 MolecularWeight: 498.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C31H30O6/c1-4-35-29(33)28(30(34)36-5-2)22-25-15-13-12-14-24(25)20-21-31(37-23(3)32,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h6-19,28H,4-5,22H2,1-3H3