2-[1,2-bis(1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl)-1,4,7-triazonan-2-yl]-2-methoxy-ethanoic acid

Systemtic Name: 2-[1,2-bis(1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl)-1,4,7-triazonan-2-yl]-2-methoxy-ethanoic acid Openeye Name: 2-[1,2-bis(2-hydroxy-1-methoxy-2-oxo-ethyl)-1,4,7-triazonan-2-yl]-2-methoxy-acetic acid CAS Name: 2-[1,2-bis(2-hydroxy-1-methoxy-2-oxoethyl)-1,4,7-triazonan-2-yl]-2-methoxyacetic acid IUPAC Name: 2-[1,2-bis(2-hydroxy-1-methoxy-2-oxoethyl)-1,4,7-triazonan-2-yl]-2-methoxyacetic acid Traditional Name: 2-[1,2-bis(2-hydroxy-2-keto-1-methoxy-ethyl)-1,4,7-triazonan-2-yl]-2-methoxy-acetic acid Formula: C15H27N3O9 MolecularWeight: 393.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)O)C1(CNCCNCCN1C(C(=O)O)OC)C(C(=O)O)OC

Isomeric SMILES

COC(C(=O)O)C1(CNCCNCCN1C(C(=O)O)OC)C(C(=O)O)OC

InChI

InChI=1S/C15H27N3O9/c1-25-9(12(19)20)15(10(26-2)13(21)22)8-17-5-4-16-6-7-18(15)11(27-3)14(23)24/h9-11,16-17H,4-8H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)