[2-[(2,6-dimethylphenyl)-methyl-(5-oxidanylideneoxolan-3-yl)azaniumyl]-2-oxidanylidene-ethyl] sulfite

Systemtic Name: [2-[(2,6-dimethylphenyl)-methyl-(5-oxidanylideneoxolan-3-yl)azaniumyl]-2-oxidanylidene-ethyl] sulfite Openeye Name: [2-[(2,6-dimethylphenyl)-methyl-(5-oxotetrahydrofuran-3-yl)ammonio]-2-oxo-ethyl] sulfite CAS Name: [2-[(2,6-dimethylphenyl)-methyl-(5-oxo-3-oxolanyl)ammonio]-2-oxoethyl] sulfite IUPAC Name: [2-[(2,6-dimethylphenyl)-methyl-(5-oxooxolan-3-yl)azaniumyl]-2-oxoethyl] sulfite Traditional Name: [2-[(2,6-dimethylphenyl)-(5-ketotetrahydrofuran-3-yl)-methyl-ammonio]-2-keto-ethyl] sulfite Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c1-10-5-4-6-11(2)15(10)16(3,12-7-14(18)21-8-12)13(17)9-22-23(19)20/h4-6,12H,7-9H2,1-3H3