2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; iodanylbenzene

Systemtic Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; iodanylbenzene Openeye Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; iodobenzene CAS Name: 2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid; iodobenzene IUPAC Name: 2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxylic acid; iodobenzene Traditional Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; iodobenzene Formula: C13H17INO4S2+ MolecularWeight: 442.31285

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=S(=O)=O)CCS1)C(=O)O)C.C1=CC=C(C=C1)I

Isomeric SMILES

CC1(C([N+](=S(=O)=O)CCS1)C(=O)O)C.C1=CC=C(C=C1)I

InChI

InChI=1S/C7H11NO4S2.C6H5I/c1-7(2)5(6(9)10)8(14(11)12)3-4-13-7;7-6-4-2-1-3-5-6/h5H,3-4H2,1-2H3;1-5H/p+1