methyl 1-ethanoyl-3,4-bis(2-phenylethynyl)cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 1-ethanoyl-3,4-bis(2-phenylethynyl)cyclopent-3-ene-1-carboxylate Openeye Name: methyl 1-acetyl-3,4-bis(2-phenylethynyl)cyclopent-3-ene-1-carboxylate CAS Name: 1-acetyl-3,4-bis(2-phenylethynyl)-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-3,4-bis(2-phenylethynyl)cyclopent-3-ene-1-carboxylate Traditional Name: 1-acetyl-3,4-bis(2-phenylethynyl)cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C25H20O3 MolecularWeight: 368.4245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(=C(C1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1(CC(=C(C1)C#CC2=CC=CC=C2)C#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H20O3/c1-19(26)25(24(27)28-2)17-22(15-13-20-9-5-3-6-10-20)23(18-25)16-14-21-11-7-4-8-12-21/h3-12H,17-18H2,1-2H3