[(2S)-heptan-2-yl] hydrogen sulfate

Systemtic Name: [(2S)-heptan-2-yl] hydrogen sulfate Openeye Name: [(1S)-1-methylhexyl] hydrogen sulfate CAS Name: sulfuric acid [(2S)-heptan-2-yl] ester IUPAC Name: [(2S)-heptan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S)-1-methylhexyl] ester Formula: C7H16O4S MolecularWeight: 196.26454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCC[C@H](C)OS(=O)(=O)O

InChI

InChI=1S/C7H16O4S/c1-3-4-5-6-7(2)11-12(8,9)10/h7H,3-6H2,1-2H3,(H,8,9,10)/t7-/m0/s1