methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonyl-heptadec-10-ynoate

Systemtic Name: methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonyl-heptadec-10-ynoate Openeye Name: methyl 12-acetoxy-13,13-dimethyl-8-methylsulfonyl-heptadec-10-ynoate CAS Name: 12-acetyloxy-13,13-dimethyl-8-methylsulfonyl-10-heptadecynoic acid methyl ester IUPAC Name: methyl 12-acetyloxy-13,13-dimethyl-8-methylsulfonylheptadec-10-ynoate Traditional Name: 12-acetoxy-8-mesyl-13,13-dimethyl-heptadec-10-ynoic acid methyl ester Formula: C23H40O6S MolecularWeight: 444.6251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O6S/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,7-12,14-15,17-18H2,1-6H3