3,4,5-triacetyloxy-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-2-oxidanyl-6-oxidanylidene-hexanoic acid

Systemtic Name: 3,4,5-triacetyloxy-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-2-oxidanyl-6-oxidanylidene-hexanoic acid Openeye Name: 3,4,5-triacetoxy-6-(benzofuro[3,2-c]isoquinolin-5-yloxy)-2-hydroxy-6-oxo-hexanoic acid CAS Name: 3,4,5-triacetyloxy-6-(5-benzofuro[3,2-c]isoquinolinyloxy)-2-hydroxy-6-oxohexanoic acid IUPAC Name: 3,4,5-triacetyloxy-6-([1]benzofuro[3,2-c]isoquinolin-5-yloxy)-2-hydroxy-6-oxohexanoic acid Traditional Name: 3,4,5-triacetoxy-6-(benzofur[3,2-c]isoquinolin-5-yloxy)-2-hydroxy-6-keto-hexanoic acid Formula: C27H23NO12 MolecularWeight: 553.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C(C(=O)OC1=NC2=C(C3=CC=CC=C31)OC4=CC=CC=C42)OC(=O)C)OC(=O)C)C(C(=O)O)O

Isomeric SMILES

CC(=O)OC(C(C(C(=O)OC1=NC2=C(C3=CC=CC=C31)OC4=CC=CC=C42)OC(=O)C)OC(=O)C)C(C(=O)O)O

InChI

InChI=1S/C27H23NO12/c1-12(29)36-22(20(32)26(33)34)23(37-13(2)30)24(38-14(3)31)27(35)40-25-16-9-5-4-8-15(16)21-19(28-25)17-10-6-7-11-18(17)39-21/h4-11,20,22-24,32H,1-3H3,(H,33,34)