4-(4-nitrophenoxy)-2-phosphonato-butan-1-ol

Systemtic Name: 4-(4-nitrophenoxy)-2-phosphonato-butan-1-ol Openeye Name: 4-(4-nitrophenoxy)-2-phosphonato-butan-1-ol CAS Name: 4-(4-nitrophenoxy)-2-phosphonato-1-butanol IUPAC Name: 4-(4-nitrophenoxy)-2-phosphonatobutan-1-ol Traditional Name: 4-(4-nitrophenoxy)-2-phosphonato-butan-1-ol Formula: C10H12NO7P-2 MolecularWeight: 289.178541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)P(=O)([O-])[O-]

InChI

InChI=1S/C10H14NO7P/c12-7-10(19(15,16)17)5-6-18-9-3-1-8(2-4-9)11(13)14/h1-4,10,12H,5-7H2,(H2,15,16,17)/p-2