[4-(9a-butyl-7-methoxy-3-oxidanylidene-2,9-dihydro-1H-fluoren-4-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(9a-butyl-7-methoxy-3-oxidanylidene-2,9-dihydro-1H-fluoren-4-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl] ester IUPAC Name: [4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(9a-butyl-3-keto-7-methoxy-2,9-dihydro-1H-fluoren-4-yl)phenyl] ester Formula: C25H25F3O5S MolecularWeight: 494.52321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)C4=CC=C(C=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)C4=CC=C(C=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H25F3O5S/c1-3-4-12-24-13-11-21(29)22(23(24)20-10-9-19(32-2)14-17(20)15-24)16-5-7-18(8-6-16)33-34(30,31)25(26,27)28/h5-10,14H,3-4,11-13,15H2,1-2H3