2-[4,7-bis[1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-1,4,7-triazonan-1-yl]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[4,7-bis[1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-1,4,7-triazonan-1-yl]-4-oxidanyl-butanoic acid Openeye Name: 2-[4,7-bis(1-carboxy-3-hydroxy-propyl)-1,4,7-triazonan-1-yl]-4-hydroxy-butanoic acid CAS Name: 2-[4,7-bis(1,4-dihydroxy-1-oxobutan-2-yl)-1,4,7-triazonan-1-yl]-4-hydroxybutanoic acid IUPAC Name: 2-[4,7-bis(1,4-dihydroxy-1-oxobutan-2-yl)-1,4,7-triazonan-1-yl]-4-hydroxybutanoic acid Traditional Name: 2-[4,7-bis(1-carboxy-3-hydroxy-propyl)-1,4,7-triazonan-1-yl]-4-hydroxy-butyric acid Formula: C18H33N3O9 MolecularWeight: 435.46932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1C(CCO)C(=O)O)C(CCO)C(=O)O)C(CCO)C(=O)O

Isomeric SMILES

C1CN(CCN(CCN1C(CCO)C(=O)O)C(CCO)C(=O)O)C(CCO)C(=O)O

InChI

InChI=1S/C18H33N3O9/c22-10-1-13(16(25)26)19-4-6-20(14(2-11-23)17(27)28)8-9-21(7-5-19)15(3-12-24)18(29)30/h13-15,22-24H,1-12H2,(H,25,26)(H,27,28)(H,29,30)