dimethyl 2-(4-acetyloxy-5,5-dimethyl-non-2-ynyl)-2-methylsulfonyl-nonanedioate

Systemtic Name: dimethyl 2-(4-acetyloxy-5,5-dimethyl-non-2-ynyl)-2-methylsulfonyl-nonanedioate Openeye Name: dimethyl 2-(4-acetoxy-5,5-dimethyl-non-2-ynyl)-2-methylsulfonyl-nonanedioate CAS Name: 2-(4-acetyloxy-5,5-dimethylnon-2-ynyl)-2-methylsulfonylnonanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-acetyloxy-5,5-dimethylnon-2-ynyl)-2-methylsulfonylnonanedioate Traditional Name: 2-(4-acetoxy-5,5-dimethyl-non-2-ynyl)-2-mesyl-azelaic acid dimethyl ester Formula: C25H42O8S MolecularWeight: 502.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C#CCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(C#CCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C25H42O8S/c1-8-9-17-24(3,4)21(33-20(2)26)15-14-19-25(23(28)32-6,34(7,29)30)18-13-11-10-12-16-22(27)31-5/h21H,8-13,16-19H2,1-7H3