tert-butyl 7-[2-methyl-7-(2-oxidanylideneheptylsulfanyl)-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate

Systemtic Name: tert-butyl 7-[2-methyl-7-(2-oxidanylideneheptylsulfanyl)-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate Openeye Name: tert-butyl 7-[2-methyl-7-(2-oxoheptylsulfanyl)-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate CAS Name: 7-[2-methyl-7-(2-oxoheptylthio)-1,3-dioxaspiro[3.4]octan-8-yl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-methyl-7-(2-oxoheptylsulfanyl)-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate Traditional Name: 7-[7-(2-ketoheptylthio)-2-methyl-1,3-dioxaspiro[3.4]octan-8-yl]enanthic acid tert-butyl ester Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CSC1CCC2(C1CCCCCCC(=O)OC(C)(C)C)OC(O2)C

Isomeric SMILES

CCCCCC(=O)CSC1CCC2(C1CCCCCCC(=O)OC(C)(C)C)OC(O2)C

InChI

InChI=1S/C25H44O5S/c1-6-7-10-13-20(26)18-31-22-16-17-25(28-19(2)29-25)21(22)14-11-8-9-12-15-23(27)30-24(3,4)5/h19,21-22H,6-18H2,1-5H3