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

Systemtic Name: (2S,6S)-2,6-bis(3-nitrophenyl)thian-4-one Openeye Name: (2S,6S)-2,6-bis(3-nitrophenyl)tetrahydrothiopyran-4-one CAS Name: (2S,6S)-2,6-bis(3-nitrophenyl)-4-thianone IUPAC Name: (2S,6S)-2,6-bis(3-nitrophenyl)thian-4-one Traditional Name: (2S,6S)-2,6-bis(3-nitrophenyl)tetrahydrothiopyran-4-one Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](S[C@@H](CC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c20-15-9-16(11-3-1-5-13(7-11)18(21)22)25-17(10-15)12-4-2-6-14(8-12)19(23)24/h1-8,16-17H,9-10H2/t16-,17-/m0/s1