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

Systemtic Name: [2-[(3-chloranyl-2,6-dimethyl-phenyl)-methyl-(5-oxidanylideneoxolan-3-yl)azaniumyl]-2-oxidanylidene-ethyl] sulfite Openeye Name: [2-[(3-chloro-2,6-dimethyl-phenyl)-methyl-(5-oxotetrahydrofuran-3-yl)ammonio]-2-oxo-ethyl] sulfite CAS Name: [2-[(3-chloro-2,6-dimethylphenyl)-methyl-(5-oxo-3-oxolanyl)ammonio]-2-oxoethyl] sulfite IUPAC Name: [2-[(3-chloro-2,6-dimethylphenyl)-methyl-(5-oxooxolan-3-yl)azaniumyl]-2-oxoethyl] sulfite Traditional Name: [2-[(3-chloro-2,6-dimethyl-phenyl)-(5-ketotetrahydrofuran-3-yl)-methyl-ammonio]-2-keto-ethyl] sulfite Formula: C15H18ClNO6S MolecularWeight: 375.82452

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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