methyl (12S)-12-acetyloxy-8-methylsulfonyl-heptadec-10-ynoate

Systemtic Name: methyl (12S)-12-acetyloxy-8-methylsulfonyl-heptadec-10-ynoate Openeye Name: methyl (12S)-12-acetoxy-8-methylsulfonyl-heptadec-10-ynoate CAS Name: (12S)-12-acetyloxy-8-methylsulfonyl-10-heptadecynoic acid methyl ester IUPAC Name: methyl (12S)-12-acetyloxy-8-methylsulfonylheptadec-10-ynoate Traditional Name: (12S)-12-acetoxy-8-mesyl-heptadec-10-ynoic acid methyl ester Formula: C21H36O6S MolecularWeight: 416.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](C#CCC(CCCCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C21H36O6S/c1-5-6-9-13-19(27-18(2)22)14-12-16-20(28(4,24)25)15-10-7-8-11-17-21(23)26-3/h19-20H,5-11,13,15-17H2,1-4H3/t19-,20?/m0/s1