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

Systemtic Name: tert-butyl 7-[2-methyl-7-(2-methyl-2-oxidanyl-heptyl)sulfanyl-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate Openeye Name: tert-butyl 7-[7-(2-hydroxy-2-methyl-heptyl)sulfanyl-2-methyl-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate CAS Name: 7-[7-[(2-hydroxy-2-methylheptyl)thio]-2-methyl-1,3-dioxaspiro[3.4]octan-8-yl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[7-(2-hydroxy-2-methylheptyl)sulfanyl-2-methyl-1,3-dioxaspiro[3.4]octan-8-yl]heptanoate Traditional Name: 7-[7-[(2-hydroxy-2-methyl-heptyl)thio]-2-methyl-1,3-dioxaspiro[3.4]octan-8-yl]enanthic acid tert-butyl ester Formula: C26H48O5S MolecularWeight: 472.72132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O5S/c1-7-8-13-17-25(6,28)19-32-22-16-18-26(29-20(2)30-26)21(22)14-11-9-10-12-15-23(27)31-24(3,4)5/h20-22,28H,7-19H2,1-6H3