[(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] 4-nitrobenzoate

Systemtic Name: [(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] 4-nitrobenzoate Openeye Name: [(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] ester IUPAC Name: [(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(6R,8R)-5,11-dithiaspiro[5.5]undecan-8-yl] ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCSC2(C1)CC(CCS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCS[C@@]2(C1)C[C@@H](CCS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO4S2/c18-15(12-3-5-13(6-4-12)17(19)20)21-14-7-10-23-16(11-14)8-1-2-9-22-16/h3-6,14H,1-2,7-11H2/t14-,16-/m1/s1