[5-azanyl-3,6-bis(oxidanylidene)-6-phenylmethoxy-hexan-2-yl]phosphonic acid

Systemtic Name: [5-azanyl-3,6-bis(oxidanylidene)-6-phenylmethoxy-hexan-2-yl]phosphonic acid Openeye Name: (4-amino-5-benzyloxy-1-methyl-2,5-dioxo-pentyl)phosphonic acid CAS Name: (5-amino-3,6-dioxo-6-phenylmethoxyhexan-2-yl)phosphonic acid IUPAC Name: (5-amino-3,6-dioxo-6-phenylmethoxyhexan-2-yl)phosphonic acid Traditional Name: (4-amino-5-benzoxy-2,5-diketo-1-methyl-pentyl)phosphonic acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(C(=O)OCC1=CC=CC=C1)N)P(=O)(O)O

Isomeric SMILES

CC(C(=O)CC(C(=O)OCC1=CC=CC=C1)N)P(=O)(O)O

InChI

InChI=1S/C13H18NO6P/c1-9(21(17,18)19)12(15)7-11(14)13(16)20-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H2,17,18,19)