[(6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(6aR,10aR)-3-(1,1-dimethylheptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-9-yl] ester IUPAC Name: [(6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(6aR,10aR)-3-(1,1-dimethylheptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl] ester Formula: C25H35F3O4S MolecularWeight: 488.60321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C=C1)C3CC(=CCC3C(O2)(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H35F3O4S/c1-6-7-8-9-14-23(2,3)17-10-12-19-20-16-18(32-33(29,30)25(26,27)28)11-13-21(20)24(4,5)31-22(19)15-17/h10-12,15,20-21H,6-9,13-14,16H2,1-5H3/t20-,21+/m0/s1