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

Systemtic Name: 2-[(2R,5R)-5-tert-butyl-1,1-bis(oxidanylidene)-1,3-dithian-2-yl]-4-nitro-phenol Openeye Name: 2-[(2R,5R)-5-tert-butyl-1,1-dioxo-1,3-dithian-2-yl]-4-nitro-phenol CAS Name: 2-[(2R,5R)-5-tert-butyl-1,1-dioxo-1,3-dithian-2-yl]-4-nitrophenol IUPAC Name: 2-[(2R,5R)-5-tert-butyl-1,1-dioxo-1,3-dithian-2-yl]-4-nitrophenol Traditional Name: 2-[(2R,5R)-5-tert-butyl-1,1-diketo-1,3-dithian-2-yl]-4-nitro-phenol Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S2/c1-14(2,3)9-7-21-13(22(19,20)8-9)11-6-10(15(17)18)4-5-12(11)16/h4-6,9,13,16H,7-8H2,1-3H3/t9-,13-/m1/s1