5-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenoxy]-6-sulfanyl-thiane-3,4-diol

Systemtic Name: 5-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenoxy]-6-sulfanyl-thiane-3,4-diol Openeye Name: 5-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-6-sulfanyl-tetrahydrothiopyran-3,4-diol CAS Name: 5-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-6-mercaptothiane-3,4-diol IUPAC Name: 5-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-6-sulfanylthiane-3,4-diol Traditional Name: 5-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-6-mercapto-tetrahydrothiopyran-3,4-diol Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O)O

Isomeric SMILES

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O)O

InChI

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