[3-nonyl-2-(oxiran-2-yl)phenyl] hydrogen sulfate

Systemtic Name: [3-nonyl-2-(oxiran-2-yl)phenyl] hydrogen sulfate Openeye Name: [3-nonyl-2-(oxiran-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-nonyl-2-(2-oxiranyl)phenyl] ester IUPAC Name: [3-nonyl-2-(oxiran-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-nonyl-2-(oxiran-2-yl)phenyl] ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)OS(=O)(=O)O)C2CO2

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)OS(=O)(=O)O)C2CO2

InChI

InChI=1S/C17H26O5S/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(22-23(18,19)20)17(14)16-13-21-16/h9,11-12,16H,2-8,10,13H2,1H3,(H,18,19,20)