(3-nitrooxy-2-phosphonooxy-propyl) 2-acetyloxybenzoate

Systemtic Name: (3-nitrooxy-2-phosphonooxy-propyl) 2-acetyloxybenzoate Openeye Name: (3-nitrooxy-2-phosphonooxy-propyl) 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (3-nitrooxy-2-phosphonooxypropyl) ester IUPAC Name: (3-nitrooxy-2-phosphonooxypropyl) 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (3-nitrooxy-2-phosphonooxy-propyl) ester Formula: C12H14NO11P MolecularWeight: 379.213421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC(CO[N+](=O)[O-])OP(=O)(O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC(CO[N+](=O)[O-])OP(=O)(O)O

InChI

InChI=1S/C12H14NO11P/c1-8(14)23-11-5-3-2-4-10(11)12(15)21-6-9(7-22-13(16)17)24-25(18,19)20/h2-5,9H,6-7H2,1H3,(H2,18,19,20)