dimethyl 2-(3-deuterio-4-methoxy-4-methyl-pentyl)-2-[3-methyl-2-(4-methylphenyl)sulfinyl-but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-(3-deuterio-4-methoxy-4-methyl-pentyl)-2-[3-methyl-2-(4-methylphenyl)sulfinyl-but-2-enyl]propanedioate Openeye Name: dimethyl 2-(3-deuterio-4-methoxy-4-methyl-pentyl)-2-[3-methyl-2-(p-tolylsulfinyl)but-2-enyl]propanedioate CAS Name: 2-(3-deuterio-4-methoxy-4-methylpentyl)-2-[3-methyl-2-(4-methylphenyl)sulfinylbut-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-deuterio-4-methoxy-4-methylpentyl)-2-[3-methyl-2-(4-methylphenyl)sulfinylbut-2-enyl]propanedioate Traditional Name: 2-(3-deuterio-4-methoxy-4-methyl-pentyl)-2-[3-methyl-2-(p-tolylsulfinyl)but-2-enyl]malonic acid dimethyl ester Formula: C24H36O6S MolecularWeight: 453.610202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(=C(C)C)CC(CCCC(C)(C)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

[2H]C(CCC(CC(=C(C)C)S(=O)C1=CC=C(C=C1)C)(C(=O)OC)C(=O)OC)C(C)(C)OC

InChI

InChI=1S/C24H36O6S/c1-17(2)20(31(27)19-12-10-18(3)11-13-19)16-24(21(25)28-6,22(26)29-7)15-9-14-23(4,5)30-8/h10-13H,9,14-16H2,1-8H3/i14D