diethyl 2-[4,4-bis(4-chlorophenyl)-4-oxidanyl-but-2-ynyl]-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-[4,4-bis(4-chlorophenyl)-4-oxidanyl-but-2-ynyl]-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-[4,4-bis(4-chlorophenyl)-4-hydroxy-but-2-ynyl]propanedioate CAS Name: 2-[4,4-bis(4-chlorophenyl)-4-hydroxybut-2-ynyl]-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-[4,4-bis(4-chlorophenyl)-4-hydroxybut-2-ynyl]propanedioate Traditional Name: 2-benzyl-2-[4,4-bis(4-chlorophenyl)-4-hydroxy-but-2-ynyl]malonic acid diethyl ester Formula: C30H28Cl2O5 MolecularWeight: 539.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28Cl2O5/c1-3-36-27(33)29(28(34)37-4-2,21-22-9-6-5-7-10-22)19-8-20-30(35,23-11-15-25(31)16-12-23)24-13-17-26(32)18-14-24/h5-7,9-18,35H,3-4,19,21H2,1-2H3