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

Systemtic Name: [2-ethanoyl-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-3-oxidanyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-acetyl-3-hydroxy-4-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-acetyl-3-hydroxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] ester IUPAC Name: [2-acetyl-3-hydroxy-4-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-acetyl-3-hydroxy-4-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl] ester Formula: C19H16F3NO8S MolecularWeight: 475.39245

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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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3NO8S/c1-9-8-13(23(26)27)11-4-3-5-12(11)18(9)30-15-7-6-14(16(10(2)24)17(15)25)31-32(28,29)19(20,21)22/h6-8,25H,3-5H2,1-2H3