[1-oxidanyl-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phosphonic acid Formula: C11H17NO7P2 MolecularWeight: 337.202702

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H17NO7P2/c13-11(20(14,15)16,21(17,18)19)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12-13H,5-7H2,(H2,14,15,16)(H2,17,18,19)