O1-ethyl O3-[3-methyl-1-(4-methylsulfonylphenyl)pent-1-yn-3-yl] propanedioate

Systemtic Name: O1-ethyl O3-[3-methyl-1-(4-methylsulfonylphenyl)pent-1-yn-3-yl] propanedioate Openeye Name: O1-ethyl O3-[1-ethyl-1-methyl-3-(4-methylsulfonylphenyl)prop-2-ynyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[3-methyl-1-(4-methylsulfonylphenyl)pent-1-yn-3-yl] ester IUPAC Name: 1-O-ethyl 3-O-[3-methyl-1-(4-methylsulfonylphenyl)pent-1-yn-3-yl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[1-ethyl-3-(4-mesylphenyl)-1-methyl-prop-2-ynyl] ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6S/c1-5-18(3,24-17(20)13-16(19)23-6-2)12-11-14-7-9-15(10-8-14)25(4,21)22/h7-10H,5-6,13H2,1-4H3