5-chloranyl-3-(2-ethoxy-1-oxidanyl-ethyl)-4-oxidanyl-1H-indole-6,7-dione

Systemtic Name: 5-chloranyl-3-(2-ethoxy-1-oxidanyl-ethyl)-4-oxidanyl-1H-indole-6,7-dione Openeye Name: 5-chloro-3-(2-ethoxy-1-hydroxy-ethyl)-4-hydroxy-1H-indole-6,7-dione CAS Name: 5-chloro-3-(2-ethoxy-1-hydroxyethyl)-4-hydroxy-1H-indole-6,7-dione IUPAC Name: 5-chloro-3-(2-ethoxy-1-hydroxyethyl)-4-hydroxy-1H-indole-6,7-dione Traditional Name: 5-chloro-3-(2-ethoxy-1-hydroxy-ethyl)-4-hydroxy-1H-indole-6,7-quinone Formula: C12H12ClNO5 MolecularWeight: 285.68038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C1=CNC2=C1C(=C(C(=O)C2=O)Cl)O)O

Isomeric SMILES

CCOCC(C1=CNC2=C1C(=C(C(=O)C2=O)Cl)O)O

InChI

InChI=1S/C12H12ClNO5/c1-2-19-4-6(15)5-3-14-9-7(5)10(16)8(13)11(17)12(9)18/h3,6,14-16H,2,4H2,1H3