(2S,3R,4R,5S,6S)-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3R,4R,5S,6S)-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3R,4R,5S,6S)-6-(benzofuro[3,2-c]isoquinolin-5-yloxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3R,4R,5S,6S)-6-(5-benzofuro[3,2-c]isoquinolinyloxy)-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3R,4R,5S,6S)-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3R,4R,5S,6S)-6-(benzofur[3,2-c]isoquinolin-5-yloxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H17NO8 MolecularWeight: 411.36158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4O3)N=C2OC5C(C(C(C(O5)C(=O)O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4O3)N=C2O[C@H]5[C@H]([C@@H]([C@H]([C@H](O5)C(=O)O)O)O)O

InChI

InChI=1S/C21H17NO8/c23-14-15(24)18(20(26)27)29-21(16(14)25)30-19-10-6-2-1-5-9(10)17-13(22-19)11-7-3-4-8-12(11)28-17/h1-8,14-16,18,21,23-25H,(H,26,27)/t14-,15-,16+,18+,21+/m1/s1