4-(dioxidanyl)-4-oxidanylidene-3-sulfo-butanoic acid; propane-1,3-diamine; 2-sulfobutanedioic acid

Systemtic Name: 4-(dioxidanyl)-4-oxidanylidene-3-sulfo-butanoic acid; propane-1,3-diamine; 2-sulfobutanedioic acid Openeye Name: 4-hydroperoxy-4-oxo-3-sulfo-butanoic acid; propane-1,3-diamine; 2-sulfobutanedioic acid CAS Name: 4-hydroperoxy-4-oxo-3-sulfobutanoic acid; propane-1,3-diamine; 2-sulfobutanedioic acid IUPAC Name: 4-hydroperoxy-4-oxo-3-sulfobutanoic acid; propane-1,3-diamine; 2-sulfobutanedioic acid Traditional Name: 3-aminopropylamine; 4-hydroperoxy-4-keto-3-sulfo-butyric acid; 2-sulfosuccinic acid Formula: C11H22N2O15S2 MolecularWeight: 486.42678

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CN.C(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(C(C(=O)OO)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C(CN)CN.C(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(C(C(=O)OO)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C4H6O8S.C4H6O7S.C3H10N2/c5-3(6)1-2(4(7)12-8)13(9,10)11;5-3(6)1-2(4(7)8)12(9,10)11;4-2-1-3-5/h2,8H,1H2,(H,5,6)(H,9,10,11);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);1-5H2