methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonyl-heptadecanoate

Systemtic Name: methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonyl-heptadecanoate Openeye Name: methyl 12-acetoxy-13,13-dimethyl-8-methylsulfonyl-heptadecanoate CAS Name: 12-acetyloxy-13,13-dimethyl-8-methylsulfonylheptadecanoic acid methyl ester IUPAC Name: methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonylheptadecanoate Traditional Name: 12-acetoxy-8-mesyl-13,13-dimethyl-heptadecanoic acid methyl ester Formula: C23H44O6S MolecularWeight: 448.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(CCCC(CCCCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C23H44O6S/c1-7-8-18-23(3,4)21(29-19(2)24)16-13-15-20(30(6,26)27)14-11-9-10-12-17-22(25)28-5/h20-21H,7-18H2,1-6H3