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

Systemtic Name: 3-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]tetrahydrothiopyran-2-thiolate CAS Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-2-thianethiolate IUPAC Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]thiane-2-thiolate Traditional Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]tetrahydrothiopyran-2-thiolate Formula: C18H18NO6S2- MolecularWeight: 408.46862

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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/p-1