[(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) carbonate

Systemtic Name: [(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) carbonate Openeye Name: [(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) carbonate CAS Name: carbonic acid [(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) ester IUPAC Name: [(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) carbonate Traditional Name: carbonic acid [(1S,2S)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methyl (4-nitrophenyl) ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC2SCCS2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)CC2SCCS2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO5S2/c20-18(24-16-7-5-15(6-8-16)19(21)22)23-12-14-4-2-1-3-13(14)11-17-25-9-10-26-17/h5-8,13-14,17H,1-4,9-12H2/t13-,14+/m0/s1