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

Systemtic Name: [(2S)-octan-2-yl] hydrogen sulfate Openeye Name: [(1S)-1-methylheptyl] hydrogen sulfate CAS Name: sulfuric acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S)-1-methylheptyl] ester Formula: C8H18O4S MolecularWeight: 210.29112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C8H18O4S/c1-3-4-5-6-7-8(2)12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)/t8-/m0/s1