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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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