5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid Openeye Name: 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid CAS Name: 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid Traditional Name: 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid Formula: C10H14NO5P MolecularWeight: 259.195621

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2=C1CNC(C2)C(=O)O)P(=O)(O)O

Isomeric SMILES

C1C=CC(C2=C1CNC(C2)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H14NO5P/c12-10(13)8-4-7-6(5-11-8)2-1-3-9(7)17(14,15)16/h1,3,8-9,11H,2,4-5H2,(H,12,13)(H2,14,15,16)