(2R,3R,4R,5R,6R,7R)-3,6-bis[[3-nitro-2-(trifluoromethyl)phenyl]methoxy]-1,1-bis(oxidanylidene)-2,7-bis(phenylmethyl)thiepane-4,5-diol

Systemtic Name: (2R,3R,4R,5R,6R,7R)-3,6-bis[[3-nitro-2-(trifluoromethyl)phenyl]methoxy]-1,1-bis(oxidanylidene)-2,7-bis(phenylmethyl)thiepane-4,5-diol Openeye Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-bis[[3-nitro-2-(trifluoromethyl)phenyl]methoxy]-1,1-dioxo-thiepane-4,5-diol CAS Name: (2R,3R,4R,5R,6R,7R)-3,6-bis[[3-nitro-2-(trifluoromethyl)phenyl]methoxy]-1,1-dioxo-2,7-bis(phenylmethyl)thiepane-4,5-diol IUPAC Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-bis[[3-nitro-2-(trifluoromethyl)phenyl]methoxy]-1,1-dioxothiepane-4,5-diol Traditional Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-1,1-diketo-3,6-bis[[3-nitro-2-(trifluoromethyl)benzyl]oxy]thiepane-4,5-diol Formula: C36H32F6N2O10S MolecularWeight: 798.702099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(C(C(S2(=O)=O)CC3=CC=CC=C3)OCC4=C(C(=CC=C4)[N+](=O)[O-])C(F)(F)F)O)O)OCC5=C(C(=CC=C5)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@@H]([C@H]([C@H]([C@H](S2(=O)=O)CC3=CC=CC=C3)OCC4=C(C(=CC=C4)[N+](=O)[O-])C(F)(F)F)O)O)OCC5=C(C(=CC=C5)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C36H32F6N2O10S/c37-35(38,39)29-23(13-7-15-25(29)43(47)48)19-53-33-27(17-21-9-3-1-4-10-21)55(51,52)28(18-22-11-5-2-6-12-22)34(32(46)31(33)45)54-20-24-14-8-16-26(44(49)50)30(24)36(40,41)42/h1-16,27-28,31-34,45-46H,17-20H2/t27-,28-,31-,32-,33+,34+/m1/s1