[4-[[4-(4-nitrooxybutoxy)-4-oxidanylidene-butanoyl]amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[4-(4-nitrooxybutoxy)-4-oxidanylidene-butanoyl]amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[[4-(4-nitrooxybutoxy)-4-oxo-butanoyl]amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[4-(4-nitrooxybutoxy)-1,4-dioxobutyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[[4-(4-nitrooxybutoxy)-4-oxobutanoyl]amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[[4-keto-4-(4-nitrooxybutoxy)butanoyl]amino]-1-phosphono-butyl]phosphonic acid Formula: C12H24N2O13P2 MolecularWeight: 466.272082

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Descriptors Computed from Structure

Canonical SMILES:

C(CCO[N+](=O)[O-])COC(=O)CCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCO[N+](=O)[O-])COC(=O)CCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H24N2O13P2/c15-10(4-5-11(16)26-8-1-2-9-27-14(18)19)13-7-3-6-12(17,28(20,21)22)29(23,24)25/h17H,1-9H2,(H,13,15)(H2,20,21,22)(H2,23,24,25)