[(1R,3aR,4R,5S)-4,5,7-trimethyl-6-oxidanylidene-8,9-bis(phenylmethoxy)-1,2,3,3a,4,5-hexahydrophenalen-1-yl] 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: [(1R,3aR,4R,5S)-4,5,7-trimethyl-6-oxidanylidene-8,9-bis(phenylmethoxy)-1,2,3,3a,4,5-hexahydrophenalen-1-yl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [(1R,3aR,4R,5S)-8,9-dibenzyloxy-4,5,7-trimethyl-6-oxo-1,2,3,3a,4,5-hexahydrophenalen-1-yl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [(1R,3aR,4R,5S)-4,5,7-trimethyl-6-oxo-8,9-bis(phenylmethoxy)-1,2,3,3a,4,5-hexahydrophenalen-1-yl] ester IUPAC Name: [(1R,3aR,4R,5S)-4,5,7-trimethyl-6-oxo-8,9-bis(phenylmethoxy)-1,2,3,3a,4,5-hexahydrophenalen-1-yl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [(1R,3aR,4R,5S)-8,9-dibenzoxy-6-keto-4,5,7-trimethyl-1,2,3,3a,4,5-hexahydrophenalen-1-yl] ester Formula: C32H31Cl3O5 MolecularWeight: 601.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2=C3C1CCC(C3=C(C(=C2C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C(Cl)(Cl)Cl)C

Isomeric SMILES

C[C@H]1[C@@H](C(=O)C2=C3[C@@H]1CC[C@H](C3=C(C(=C2C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C(Cl)(Cl)Cl)C

InChI

InChI=1S/C32H31Cl3O5/c1-18-19(2)28(36)25-20(3)29(38-16-21-10-6-4-7-11-21)30(39-17-22-12-8-5-9-13-22)27-24(15-14-23(18)26(25)27)40-31(37)32(33,34)35/h4-13,18-19,23-24H,14-17H2,1-3H3/t18-,19-,23+,24+/m0/s1