guanidine; 5-methoxy-3-methoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: guanidine; 5-methoxy-3-methoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: guanidine; 3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxo-pentanoic acid CAS Name: guanidine; 3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid IUPAC Name: guanidine; 3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid Traditional Name: 3-carbomethoxy-3-hydroxy-5-keto-5-methoxy-valeric acid; guanidine Formula: C9H17N3O7 MolecularWeight: 279.24718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)O)(C(=O)OC)O.C(=N)(N)N

Isomeric SMILES

COC(=O)CC(CC(=O)O)(C(=O)OC)O.C(=N)(N)N

InChI

InChI=1S/C8H12O7.CH5N3/c1-14-6(11)4-8(13,3-5(9)10)7(12)15-2;2-1(3)4/h13H,3-4H2,1-2H3,(H,9,10);(H5,2,3,4)