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methyl 12-acetyloxy-8-methylsulfonyl-heptadec-5-ynoate

methyl 12-acetyloxy-8-methylsulfonyl-heptadec-5-ynoate

Systemtic Name:methyl 12-acetyloxy-8-methylsulfonyl-heptadec-5-ynoate
Openeye Name:methyl 12-acetoxy-8-methylsulfonyl-heptadec-5-ynoate
CAS Name:12-acetyloxy-8-methylsulfonyl-5-heptadecynoic acid methyl ester
IUPAC Name:methyl 12-acetyloxy-8-methylsulfonylheptadec-5-ynoate
Traditional Name:12-acetoxy-8-mesyl-heptadec-5-ynoic acid methyl ester
Formula: C21H36O6S
MolecularWeight: 416.57194
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC#CCCCC(=O)OC)S(=O)(=O)C)OC(=O)C


Isomeric SMILES

CCCCCC(CCCC(CC#CCCCC(=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,5-6,8-9,11-17H2,1-4H3


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