(4S,5R)-4-nitro-5-[4-[(2R,3S)-3-nitro-4-oxidanyl-thiolan-2-yl]phenyl]thiolan-3-ol

Systemtic Name: (4S,5R)-4-nitro-5-[4-[(2R,3S)-3-nitro-4-oxidanyl-thiolan-2-yl]phenyl]thiolan-3-ol Openeye Name: (4S,5R)-5-[4-[(2R,3S)-4-hydroxy-3-nitro-tetrahydrothiophen-2-yl]phenyl]-4-nitro-tetrahydrothiophen-3-ol CAS Name: (4S,5R)-5-[4-[(2R,3S)-4-hydroxy-3-nitro-2-thiolanyl]phenyl]-4-nitro-3-thiolanol IUPAC Name: (4S,5R)-5-[4-[(2R,3S)-4-hydroxy-3-nitrothiolan-2-yl]phenyl]-4-nitrothiolan-3-ol Traditional Name: (4S,5R)-5-[4-[(2R,3S)-4-hydroxy-3-nitro-tetrahydrothiophen-2-yl]phenyl]-4-nitro-tetrahydrothiophen-3-ol Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)C2=CC=C(C=C2)C3C(C(CS3)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1C([C@@H]([C@H](S1)C2=CC=C(C=C2)[C@@H]3[C@H](C(CS3)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C14H16N2O6S2/c17-9-5-23-13(11(9)15(19)20)7-1-2-8(4-3-7)14-12(16(21)22)10(18)6-24-14/h1-4,9-14,17-18H,5-6H2/t9?,10?,11-,12-,13+,14+/m0/s1