2-(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)oxy-2-methyl-propanedioic acid

Systemtic Name: 2-(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)oxy-2-methyl-propanedioic acid Openeye Name: 2-(4-amino-4-oxo-2-sulfo-butanoyl)oxy-2-methyl-propanedioic acid CAS Name: 2-(4-amino-1,4-dioxo-2-sulfobutoxy)-2-methylpropanedioic acid IUPAC Name: 2-(4-amino-4-oxo-2-sulfobutanoyl)oxy-2-methylpropanedioic acid Traditional Name: 2-(4-amino-4-keto-2-sulfo-butanoyl)oxy-2-methyl-malonic acid Formula: C8H11NO10S MolecularWeight: 313.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(=O)O)OC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CC(C(=O)O)(C(=O)O)OC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C8H11NO10S/c1-8(6(12)13,7(14)15)19-5(11)3(2-4(9)10)20(16,17)18/h3H,2H2,1H3,(H2,9,10)(H,12,13)(H,14,15)(H,16,17,18)