3-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenoxy]-4,5-bis(oxidanyl)thian-2-olate

Systemtic Name: 3-[4-[(4-nitrophenyl)-oxidanyl-methyl]phenoxy]-4,5-bis(oxidanyl)thian-2-olate Openeye Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]tetrahydrothiopyran-2-olate CAS Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]-2-thianolate IUPAC Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]thian-2-olate Traditional Name: 4,5-dihydroxy-3-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]tetrahydrothiopyran-2-olate Formula: C18H18NO7S- MolecularWeight: 392.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO7S/c20-14-9-27-18(23)17(16(14)22)26-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(24)25/h1-8,14-18,20-22H,9H2/q-1