[4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxyphenyl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxyphenyl]-(4-nitrophenyl)methanone Openeye Name: [4-(4,5-dihydroxy-2-sulfanyl-tetrahydrothiopyran-3-yl)oxyphenyl]-(4-nitrophenyl)methanone CAS Name: [4-[(4,5-dihydroxy-2-mercapto-3-thianyl)oxy]phenyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(4,5-dihydroxy-2-sulfanylthian-3-yl)oxyphenyl]-(4-nitrophenyl)methanone Traditional Name: [4-(4,5-dihydroxy-2-mercapto-tetrahydrothiopyran-3-yl)oxyphenyl]-(4-nitrophenyl)methanone Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S2/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/h1-8,14,16-18,20,22,26H,9H2