diethyl 2-[(4-methylphenyl)methyl]-2-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)propanedioate

Systemtic Name: diethyl 2-[(4-methylphenyl)methyl]-2-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)propanedioate Openeye Name: diethyl 2-(4-hydroxy-4,4-diphenyl-but-2-ynyl)-2-(p-tolylmethyl)propanedioate CAS Name: 2-(4-hydroxy-4,4-diphenylbut-2-ynyl)-2-[(4-methylphenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-hydroxy-4,4-diphenylbut-2-ynyl)-2-[(4-methylphenyl)methyl]propanedioate Traditional Name: 2-(4-hydroxy-4,4-diphenyl-but-2-ynyl)-2-(4-methylbenzyl)malonic acid diethyl ester Formula: C31H32O5 MolecularWeight: 484.58278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)(CC3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)(CC3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C31H32O5/c1-4-35-28(32)30(29(33)36-5-2,23-25-19-17-24(3)18-20-25)21-12-22-31(34,26-13-8-6-9-14-26)27-15-10-7-11-16-27/h6-11,13-20,34H,4-5,21,23H2,1-3H3