tert-butyl 2-methyl-2-sulfanyl-heptanoate

Systemtic Name: tert-butyl 2-methyl-2-sulfanyl-heptanoate Openeye Name: tert-butyl 2-methyl-2-sulfanyl-heptanoate CAS Name: 2-mercapto-2-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-sulfanylheptanoate Traditional Name: 2-mercapto-2-methyl-enanthic acid tert-butyl ester Formula: C12H24O2S MolecularWeight: 232.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(=O)OC(C)(C)C)S

Isomeric SMILES

CCCCCC(C)(C(=O)OC(C)(C)C)S

InChI

InChI=1S/C12H24O2S/c1-6-7-8-9-12(5,15)10(13)14-11(2,3)4/h15H,6-9H2,1-5H3