[2-ethanoyl-3-methoxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-ethanoyl-3-methoxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-acetyl-3-methoxy-4-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-acetyl-3-methoxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] ester IUPAC Name: [2-acetyl-3-methoxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-acetyl-3-methoxy-4-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl] ester Formula: C20H18F3NO8S MolecularWeight: 489.41903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCCC2=C1OC3=C(C(=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2CCCC2=C1OC3=C(C(=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3NO8S/c1-10-9-14(24(26)27)12-5-4-6-13(12)18(10)31-16-8-7-15(17(11(2)25)19(16)30-3)32-33(28,29)20(21,22)23/h7-9H,4-6H2,1-3H3