[5-ethyl-1-(2-ethylhexoxy)-2-oxidanyl-nonan-3-yl] hydrogen sulfate

Systemtic Name: [5-ethyl-1-(2-ethylhexoxy)-2-oxidanyl-nonan-3-yl] hydrogen sulfate Openeye Name: [3-ethyl-1-[2-(2-ethylhexoxy)-1-hydroxy-ethyl]heptyl] hydrogen sulfate CAS Name: sulfuric acid [5-ethyl-1-(2-ethylhexoxy)-2-hydroxynonan-3-yl] ester IUPAC Name: [5-ethyl-1-(2-ethylhexoxy)-2-hydroxynonan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [3-ethyl-1-[2-(2-ethylhexoxy)-1-hydroxy-ethyl]heptyl] ester Formula: C19H40O6S MolecularWeight: 396.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(COCC(CC)CCCC)O)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(C(COCC(CC)CCCC)O)OS(=O)(=O)O

InChI

InChI=1S/C19H40O6S/c1-5-9-11-16(7-3)13-19(25-26(21,22)23)18(20)15-24-14-17(8-4)12-10-6-2/h16-20H,5-15H2,1-4H3,(H,21,22,23)