4-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methoxy-phosphoryl]oxybenzoic acid

Systemtic Name: 4-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methoxy-phosphoryl]oxybenzoic acid Openeye Name: 4-[(3-amino-4-hydroxy-4-oxo-butyl)-methoxy-phosphoryl]oxybenzoic acid CAS Name: 4-[(3-amino-4-hydroxy-4-oxobutyl)-methoxyphosphoryl]oxybenzoic acid IUPAC Name: 4-[(3-amino-4-hydroxy-4-oxobutyl)-methoxyphosphoryl]oxybenzoic acid Traditional Name: 4-[(3-amino-4-hydroxy-4-keto-butyl)-methoxy-phosphoryl]oxybenzoic acid Formula: C12H16NO7P MolecularWeight: 317.231701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CCC(C(=O)O)N)OC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COP(=O)(CCC(C(=O)O)N)OC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16NO7P/c1-19-21(18,7-6-10(13)12(16)17)20-9-4-2-8(3-5-9)11(14)15/h2-5,10H,6-7,13H2,1H3,(H,14,15)(H,16,17)