10-(2-nitro-1-phenyl-ethyl)-1,4-dithiaspiro[4.5]decane

Systemtic Name: 10-(2-nitro-1-phenyl-ethyl)-1,4-dithiaspiro[4.5]decane Openeye Name: 10-(2-nitro-1-phenyl-ethyl)-1,4-dithiaspiro[4.5]decane CAS Name: 10-(2-nitro-1-phenylethyl)-1,4-dithiaspiro[4.5]decane IUPAC Name: 10-(2-nitro-1-phenylethyl)-1,4-dithiaspiro[4.5]decane Traditional Name: 10-(2-nitro-1-phenyl-ethyl)-1,4-dithiaspiro[4.5]decane Formula: C16H21NO2S2 MolecularWeight: 323.47344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(C[N+](=O)[O-])C3=CC=CC=C3)SCCS2

Isomeric SMILES

C1CCC2(C(C1)C(C[N+](=O)[O-])C3=CC=CC=C3)SCCS2

InChI

InChI=1S/C16H21NO2S2/c18-17(19)12-14(13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-10-11-21-16/h1-3,6-7,14-15H,4-5,8-12H2