3-[4-(4-nitrophenyl)carbonylphenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate

Systemtic Name: 3-[4-(4-nitrophenyl)carbonylphenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]tetrahydrothiopyran-2-thiolate CAS Name: 4,5-dihydroxy-3-[4-[(4-nitrophenyl)-oxomethyl]phenoxy]-2-thianethiolate IUPAC Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]thiane-2-thiolate Traditional Name: 4,5-dihydroxy-3-[4-(4-nitrobenzoyl)phenoxy]tetrahydrothiopyran-2-thiolate Formula: C18H16NO6S2- MolecularWeight: 406.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)[S-])OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1C(C(C(C(S1)[S-])OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H17NO6S2/c20-14-9-27-18(26)17(16(14)22)25-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(23)24/h1-8,14,16-18,20,22,26H,9H2/p-1