[(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] ester IUPAC Name: [(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] ester Formula: C21H29F3O3S MolecularWeight: 418.51337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H29F3O3S/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)27-28(25,26)21(22,23)24/h8-9,13,17H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1