(3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]thian-4-one

Systemtic Name: (3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]thian-4-one Openeye Name: (3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]tetrahydrothiopyran-4-one CAS Name: (3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]-4-thianone IUPAC Name: (3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]thian-4-one Traditional Name: (3S)-3-[(1R)-2-nitro-1-(3-nitrophenyl)ethyl]tetrahydrothiopyran-4-one Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)C(C[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c16-13-4-5-21-8-12(13)11(7-14(17)18)9-2-1-3-10(6-9)15(19)20/h1-3,6,11-12H,4-5,7-8H2/t11-,12-/m0/s1