(3-chloranyl-2,6-dimethyl-phenyl)-methyl-(5-oxidanylideneoxolan-3-yl)-(2-sulfinooxyethanoyl)azanium

Systemtic Name: (3-chloranyl-2,6-dimethyl-phenyl)-methyl-(5-oxidanylideneoxolan-3-yl)-(2-sulfinooxyethanoyl)azanium Openeye Name: (3-chloro-2,6-dimethyl-phenyl)-methyl-(5-oxotetrahydrofuran-3-yl)-(2-sulfinooxyacetyl)ammonium CAS Name: (3-chloro-2,6-dimethylphenyl)-methyl-(5-oxo-3-oxolanyl)-(1-oxo-2-sulfinooxyethyl)ammonium IUPAC Name: (3-chloro-2,6-dimethylphenyl)-methyl-(5-oxooxolan-3-yl)-(2-sulfinooxyacetyl)azanium Traditional Name: (3-chloro-2,6-dimethyl-phenyl)-(5-ketotetrahydrofuran-3-yl)-methyl-(2-sulfinooxyacetyl)ammonium Formula: C15H19ClNO6S+ MolecularWeight: 376.83246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)C)[N+](C)(C2CC(=O)OC2)C(=O)COS(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)C)[N+](C)(C2CC(=O)OC2)C(=O)COS(=O)O

InChI

InChI=1S/C15H18ClNO6S/c1-9-4-5-12(16)10(2)15(9)17(3,11-6-14(19)22-7-11)13(18)8-23-24(20)21/h4-5,11H,6-8H2,1-3H3/p+1