(6-ethoxy-2,2,4,4-tetramethyl-5-phenoxy-nonan-5-yl) hydrogen sulfate

Systemtic Name: (6-ethoxy-2,2,4,4-tetramethyl-5-phenoxy-nonan-5-yl) hydrogen sulfate Openeye Name: [1-(1-ethoxybutyl)-2,2,4,4-tetramethyl-1-phenoxy-pentyl] hydrogen sulfate CAS Name: sulfuric acid (6-ethoxy-2,2,4,4-tetramethyl-5-phenoxynonan-5-yl) ester IUPAC Name: (6-ethoxy-2,2,4,4-tetramethyl-5-phenoxynonan-5-yl) hydrogen sulfate Traditional Name: sulfuric acid [1-(1-ethoxybutyl)-2,2,4,4-tetramethyl-1-phenoxy-pentyl] ester Formula: C21H36O6S MolecularWeight: 416.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)(C)CC(C)(C)C)(OC1=CC=CC=C1)OS(=O)(=O)O)OCC

Isomeric SMILES

CCCC(C(C(C)(C)CC(C)(C)C)(OC1=CC=CC=C1)OS(=O)(=O)O)OCC

InChI

InChI=1S/C21H36O6S/c1-8-13-18(25-9-2)21(27-28(22,23)24,20(6,7)16-19(3,4)5)26-17-14-11-10-12-15-17/h10-12,14-15,18H,8-9,13,16H2,1-7H3,(H,22,23,24)