dimethyl 2-(4-phenylbut-3-ynyl)-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#CC1=CC=CC=C1)(CC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC#CC1=CC=CC=C1)(CC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H24O6S/c1-4-21(32(28,29)22-16-9-6-10-17-22)19-25(23(26)30-2,24(27)31-3)18-12-11-15-20-13-7-5-8-14-20/h5-10,13-14,16-17H,1,12,18-19H2,2-3H3