3-[4-[(4-nitrophenyl)methyl]phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate

Systemtic Name: 3-[4-[(4-nitrophenyl)methyl]phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 4,5-dihydroxy-3-[4-[(4-nitrophenyl)methyl]phenoxy]tetrahydrothiopyran-2-thiolate CAS Name: 4,5-dihydroxy-3-[4-[(4-nitrophenyl)methyl]phenoxy]-2-thianethiolate IUPAC Name: 4,5-dihydroxy-3-[4-[(4-nitrophenyl)methyl]phenoxy]thiane-2-thiolate Traditional Name: 4,5-dihydroxy-3-[4-(4-nitrobenzyl)phenoxy]tetrahydrothiopyran-2-thiolate Formula: C18H18NO5S2- MolecularWeight: 392.46922

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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/p-1