methyl-(5-oxidanylideneoxolan-3-yl)-(2-sulfinooxyethanoyl)-(2,3,6-trimethylphenyl)azanium

Systemtic Name: methyl-(5-oxidanylideneoxolan-3-yl)-(2-sulfinooxyethanoyl)-(2,3,6-trimethylphenyl)azanium Openeye Name: methyl-(5-oxotetrahydrofuran-3-yl)-(2-sulfinooxyacetyl)-(2,3,6-trimethylphenyl)ammonium CAS Name: methyl-(5-oxo-3-oxolanyl)-(1-oxo-2-sulfinooxyethyl)-(2,3,6-trimethylphenyl)ammonium IUPAC Name: methyl-(5-oxooxolan-3-yl)-(2-sulfinooxyacetyl)-(2,3,6-trimethylphenyl)azanium Traditional Name: (5-ketotetrahydrofuran-3-yl)-methyl-(2-sulfinooxyacetyl)-(2,3,6-trimethylphenyl)ammonium Formula: C16H22NO6S+ MolecularWeight: 356.41398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S/c1-10-5-6-11(2)16(12(10)3)17(4,13-7-15(19)22-8-13)14(18)9-23-24(20)21/h5-6,13H,7-9H2,1-4H3/p+1