[1,1-bis(oxidanylidene)thiolan-3-yl]azanium; 3-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanyl-pentanedioate

Systemtic Name: [1,1-bis(oxidanylidene)thiolan-3-yl]azanium; 3-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanyl-pentanedioate Openeye Name: (1,1-dioxothiolan-3-yl)ammonium; 3-hydroxy-3-(2-oxido-2-oxo-ethyl)pentanedioate CAS Name: (1,1-dioxo-3-thiolanyl)ammonium; 3-hydroxy-3-(2-oxido-2-oxoethyl)pentanedioate IUPAC Name: (1,1-dioxothiolan-3-yl)azanium; 3-hydroxy-3-(2-oxido-2-oxoethyl)pentanedioate Traditional Name: (1,1-diketothiolan-3-yl)ammonium; 3-hydroxy-3-(2-keto-2-oxido-ethyl)glutarate Formula: C19H37N3O13S3 MolecularWeight: 611.70438

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH3+].C1CS(=O)(=O)CC1[NH3+].C1CS(=O)(=O)CC1[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])O

Isomeric SMILES

C1CS(=O)(=O)CC1[NH3+].C1CS(=O)(=O)CC1[NH3+].C1CS(=O)(=O)CC1[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])O

InChI

InChI=1S/C7H10O7.3C4H9NO2S/c8-4(9)1-7(14,2-5(10)11)3-6(12)13;3*5-4-1-2-8(6,7)3-4/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);3*4H,1-3,5H2