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

Systemtic Name: dimethyl 2-hept-2-ynyl-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-hept-2-ynyl-propanedioate CAS Name: 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-hept-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-hept-2-ynylpropanedioate Traditional Name: 2-(2-besylbuta-2,3-dienyl)-2-hept-2-ynyl-malonic acid dimethyl ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC#CCC(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H26O6S/c1-5-7-8-9-13-16-22(20(23)27-3,21(24)28-4)17-18(6-2)29(25,26)19-14-11-10-12-15-19/h10-12,14-15H,2,5,7-8,16-17H2,1,3-4H3