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

Systemtic Name: 5-[4-[(4-nitrophenyl)methyl]phenoxy]-6-sulfanyl-thiane-3,4-diol Openeye Name: 5-[4-[(4-nitrophenyl)methyl]phenoxy]-6-sulfanyl-tetrahydrothiopyran-3,4-diol CAS Name: 6-mercapto-5-[4-[(4-nitrophenyl)methyl]phenoxy]thiane-3,4-diol IUPAC Name: 5-[4-[(4-nitrophenyl)methyl]phenoxy]-6-sulfanylthiane-3,4-diol Traditional Name: 6-mercapto-5-[4-(4-nitrobenzyl)phenoxy]tetrahydrothiopyran-3,4-diol Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1C(C(C(C(S1)S)OC2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H19NO5S2/c20-15-10-26-18(25)17(16(15)21)24-14-7-3-12(4-8-14)9-11-1-5-13(6-2-11)19(22)23/h1-8,15-18,20-21,25H,9-10H2