4-carboxy-3-(2-methylsulfonylphenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide

Systemtic Name: 4-carboxy-3-(2-methylsulfonylphenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide Openeye Name: 4-carboxy-N,1-dihydroxy-3-(2-methylsulfonylphenyl)-1,5-dioxo-hexan-2-imine oxide CAS Name: 4-carboxy-N,1-dihydroxy-3-(2-methylsulfonylphenyl)-1,5-dioxo-2-hexanimine oxide IUPAC Name: 4-carboxy-N,1-dihydroxy-3-(2-methylsulfonylphenyl)-1,5-dioxohexan-2-imine oxide Traditional Name: 4-carboxy-N,1-dihydroxy-1,5-diketo-3-(2-mesylphenyl)hexan-2-imine oxide Formula: C14H15NO9S MolecularWeight: 373.3352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1S(=O)(=O)C)C(=[N+](O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1S(=O)(=O)C)/C(=[N+](\O)/[O-])/C(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO9S/c1-7(16)10(13(17)18)11(12(14(19)20)15(21)22)8-5-3-4-6-9(8)25(2,23)24/h3-6,10-11H,1-2H3,(H,17,18)(H,19,20)(H,21,22)