[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]azanium; 4-methylbenzenesulfonate Openeye Name: (1-carboxy-4-hydroxy-4-oxo-butyl)ammonium; 4-methylbenzenesulfonate CAS Name: (1,5-dihydroxy-1,5-dioxopentan-2-yl)ammonium; 4-methylbenzenesulfonate IUPAC Name: (1,5-dihydroxy-1,5-dioxopentan-2-yl)azanium; 4-methylbenzenesulfonate Traditional Name: (1-carboxy-4-hydroxy-4-keto-butyl)ammonium tosylate Formula: C12H17NO7S MolecularWeight: 319.33088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CC(=O)O)C(C(=O)O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CC(=O)O)C(C(=O)O)[NH3+]

InChI

InChI=1S/C7H8O3S.C5H9NO4/c1-6-2-4-7(5-3-6)11(8,9)10;6-3(5(9)10)1-2-4(7)8/h2-5H,1H3,(H,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)