methyl 6-cyano-7-methyl-6-methylsulfonyl-octanoate

Systemtic Name: methyl 6-cyano-7-methyl-6-methylsulfonyl-octanoate Openeye Name: methyl 6-cyano-7-methyl-6-methylsulfonyl-octanoate CAS Name: 6-cyano-7-methyl-6-methylsulfonyloctanoic acid methyl ester IUPAC Name: methyl 6-cyano-7-methyl-6-methylsulfonyloctanoate Traditional Name: 6-cyano-6-mesyl-7-methyl-caprylic acid methyl ester Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)OC)(C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)C(CCCCC(=O)OC)(C#N)S(=O)(=O)C

InChI

InChI=1S/C12H21NO4S/c1-10(2)12(9-13,18(4,15)16)8-6-5-7-11(14)17-3/h10H,5-8H2,1-4H3