3-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)heptane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)heptane-1,2,3-tricarboxylic acid Openeye Name: 3-(2-amino-2-oxo-1-sulfo-ethyl)heptane-1,2,3-tricarboxylic acid CAS Name: 3-(2-amino-2-oxo-1-sulfoethyl)heptane-1,2,3-tricarboxylic acid IUPAC Name: 3-(2-amino-2-oxo-1-sulfoethyl)heptane-1,2,3-tricarboxylic acid Traditional Name: 3-(2-amino-2-keto-1-sulfo-ethyl)heptane-1,2,3-tricarboxylic acid Formula: C12H19NO10S MolecularWeight: 369.34496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO10S/c1-2-3-4-12(11(19)20,6(10(17)18)5-7(14)15)8(9(13)16)24(21,22)23/h6,8H,2-5H2,1H3,(H2,13,16)(H,14,15)(H,17,18)(H,19,20)(H,21,22,23)