2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate

Systemtic Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate Openeye Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 2,2,3,3,4,4,4-heptafluorobutanoate CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester IUPAC Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 2,2,3,3,4,4,4-heptafluorobutanoate Traditional Name: 2,2,3,3,4,4,4-heptafluorobutyric acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester Formula: C26H36F7NO3 MolecularWeight: 543.557762

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

Isomeric SMILES

CC(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

InChI

InChI=1S/C26H36F7NO3/c1-14(13-37-21(36)24(27,28)25(29,30)26(31,32)33)16-6-7-17-15-5-8-19-23(3,12-10-20(35)34(19)4)18(15)9-11-22(16,17)2/h14-19H,5-13H2,1-4H3/t14?,15-,16+,17-,18-,19+,22+,23+/m0/s1