ethanoyl-[(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)oxysulfonyl]-methyl-azanium chloride

Systemtic Name: ethanoyl-[(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)oxysulfonyl]-methyl-azanium chloride Openeye Name: acetyl-[(2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl)oxysulfonyl]-methyl-ammonium chloride CAS Name: acetyl-[(2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl)oxysulfonyl]-methylammonium chloride IUPAC Name: acetyl-[(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl)oxysulfonyl]-methylazanium chloride Traditional Name: acetyl-(2-ethoxy-3,3-dimethyl-coumaran-5-yl)oxysulfonyl-methyl-ammonium chloride Formula: C15H22ClNO6S MolecularWeight: 379.85628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)[NH+](C)C(=O)C)(C)C.[Cl-]

Isomeric SMILES

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)[NH+](C)C(=O)C)(C)C.[Cl-]

InChI

InChI=1S/C15H21NO6S.ClH/c1-6-20-14-15(3,4)12-9-11(7-8-13(12)21-14)22-23(18,19)16(5)10(2)17;/h7-9,14H,6H2,1-5H3;1H