dimethyl 2-(3-phenylprop-2-ynyl)-2-[5-(phenylsulfonyl)penta-3,4-dienyl]propanedioate

Systemtic Name: dimethyl 2-(3-phenylprop-2-ynyl)-2-[5-(phenylsulfonyl)penta-3,4-dienyl]propanedioate Openeye Name: dimethyl 2-[5-(benzenesulfonyl)penta-3,4-dienyl]-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-[5-(benzenesulfonyl)penta-3,4-dienyl]-2-(3-phenylprop-2-ynyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(benzenesulfonyl)penta-3,4-dienyl]-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-(5-besylpenta-3,4-dienyl)-2-(3-phenylprop-2-ynyl)malonic acid dimethyl ester Formula: C25H24O6S MolecularWeight: 452.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=C=CS(=O)(=O)C1=CC=CC=C1)(CC#CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC=C=CS(=O)(=O)C1=CC=CC=C1)(CC#CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H24O6S/c1-30-23(26)25(24(27)31-2,19-12-15-21-13-6-3-7-14-21)18-10-5-11-20-32(28,29)22-16-8-4-9-17-22/h3-9,13-14,16-17,20H,10,18-19H2,1-2H3