2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenyl-inden-1-imine oxide

Systemtic Name: 2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenyl-inden-1-imine oxide Openeye Name: 2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenyl-inden-1-imine oxide CAS Name: 2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenyl-1-indenimine oxide IUPAC Name: 2-ethoxycarbonyl-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenylinden-1-imine oxide Traditional Name: 2-carbethoxy-N-methyl-5,6-bis(methylsulfonyloxy)-3-phenyl-inden-1-imine oxide Formula: C21H21NO9S2 MolecularWeight: 495.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C1=[N+](C)[O-])OS(=O)(=O)C)OS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=C(C2=CC(=C(C=C2/C1=[N+](/C)\[O-])OS(=O)(=O)C)OS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO9S2/c1-5-29-21(23)19-18(13-9-7-6-8-10-13)14-11-16(30-32(3,25)26)17(31-33(4,27)28)12-15(14)20(19)22(2)24/h6-12H,5H2,1-4H3/b22-20+