2-[(2R,5R)-5-tert-butyl-1-oxidanylidene-1,3-dithian-2-yl]-4-nitro-phenol

Systemtic Name: 2-[(2R,5R)-5-tert-butyl-1-oxidanylidene-1,3-dithian-2-yl]-4-nitro-phenol Openeye Name: 2-[(2R,5R)-5-tert-butyl-1-oxo-1,3-dithian-2-yl]-4-nitro-phenol CAS Name: 2-[(2R,5R)-5-tert-butyl-1-oxo-1,3-dithian-2-yl]-4-nitrophenol IUPAC Name: 2-[(2R,5R)-5-tert-butyl-1-oxo-1,3-dithian-2-yl]-4-nitrophenol Traditional Name: 2-[(2R,5R)-5-tert-butyl-1-keto-1,3-dithian-2-yl]-4-nitro-phenol Formula: C14H19NO4S2 MolecularWeight: 329.43496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(S(=O)C1)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)[C@@H]1CS[C@H](S(=O)C1)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H19NO4S2/c1-14(2,3)9-7-20-13(21(19)8-9)11-6-10(15(17)18)4-5-12(11)16/h4-6,9,13,16H,7-8H2,1-3H3/t9-,13-,21?/m1/s1