3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione; 2-sulfobutanedioate

Systemtic Name: 3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione; 2-sulfobutanedioate Openeye Name: 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; 2-sulfobutanedioate CAS Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; 2-sulfobutanedioate IUPAC Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; 2-sulfobutanedioate Traditional Name: 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; 2-sulfosuccinate Formula: C14H20N2O11S-2 MolecularWeight: 424.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C10H16N2O4.C4H6O7S/c1-5(13)9(11,6(2)14)10(12,7(3)15)8(4)16;5-3(6)1-2(4(7)8)12(9,10)11/h11-12H2,1-4H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2