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ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name:ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Openeye Name:ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS Name:ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC Name:ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Traditional Name:ethane; 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula: C12H18NO5P
MolecularWeight: 287.248781
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Descriptors Computed from Structure

Canonical SMILES:

CC.C1C(NCC2=C1C(=CC=C2)P(=O)(O)O)C(=O)O


Isomeric SMILES

CC.C1C(NCC2=C1C(=CC=C2)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C10H12NO5P.C2H6/c12-10(13)8-4-7-6(5-11-8)2-1-3-9(7)17(14,15)16;1-2/h1-3,8,11H,4-5H2,(H,12,13)(H2,14,15,16);1-2H3


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