2,6-bis(3-nitrophenyl)-1,1-bis(oxidanylidene)thian-4-one

Systemtic Name: 2,6-bis(3-nitrophenyl)-1,1-bis(oxidanylidene)thian-4-one Openeye Name: 2,6-bis(3-nitrophenyl)-1,1-dioxo-thian-4-one CAS Name: 2,6-bis(3-nitrophenyl)-1,1-dioxo-4-thianone IUPAC Name: 2,6-bis(3-nitrophenyl)-1,1-dioxothian-4-one Traditional Name: 1,1-diketo-2,6-bis(3-nitrophenyl)thian-4-one Formula: C17H14N2O7S MolecularWeight: 390.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)(=O)C(CC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(S(=O)(=O)C(CC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c20-15-9-16(11-3-1-5-13(7-11)18(21)22)27(25,26)17(10-15)12-4-2-6-14(8-12)19(23)24/h1-8,16-17H,9-10H2