2-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenyl]sulfanylthiane-3,4,5-triol

Systemtic Name: 2-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenyl]sulfanylthiane-3,4,5-triol Openeye Name: 2-[4-[hydroxy-(4-nitrophenyl)methyl]phenyl]sulfanyltetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-[hydroxy-(4-nitrophenyl)methyl]phenyl]thio]thiane-3,4,5-triol IUPAC Name: 2-[4-[hydroxy-(4-nitrophenyl)methyl]phenyl]sulfanylthiane-3,4,5-triol Traditional Name: 2-[[4-[hydroxy-(4-nitrophenyl)methyl]phenyl]thio]tetrahydrothiopyran-3,4,5-triol Formula: C18H19NO6S2 MolecularWeight: 409.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=C(C=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O)O)O

InChI

InChI=1S/C18H19NO6S2/c20-14-9-26-18(17(23)16(14)22)27-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(24)25/h1-8,14-18,20-23H,9H2