1-[4-nitro-2-(5-nitro-4-oxidanyl-2-propanoyl-phenyl)sulfanyl-5-oxidanyl-phenyl]propan-1-one

Systemtic Name: 1-[4-nitro-2-(5-nitro-4-oxidanyl-2-propanoyl-phenyl)sulfanyl-5-oxidanyl-phenyl]propan-1-one Openeye Name: 1-[5-hydroxy-2-(4-hydroxy-5-nitro-2-propanoyl-phenyl)sulfanyl-4-nitro-phenyl]propan-1-one CAS Name: 1-[5-hydroxy-2-[[4-hydroxy-5-nitro-2-(1-oxopropyl)phenyl]thio]-4-nitrophenyl]-1-propanone IUPAC Name: 1-[5-hydroxy-2-(4-hydroxy-5-nitro-2-propanoylphenyl)sulfanyl-4-nitrophenyl]propan-1-one Traditional Name: 1-[5-hydroxy-2-[(4-hydroxy-5-nitro-2-propionyl-phenyl)thio]-4-nitro-phenyl]propan-1-one Formula: C18H16N2O8S MolecularWeight: 420.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1SC2=CC(=C(C=C2C(=O)CC)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1SC2=CC(=C(C=C2C(=O)CC)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C18H16N2O8S/c1-3-13(21)9-5-15(23)11(19(25)26)7-17(9)29-18-8-12(20(27)28)16(24)6-10(18)14(22)4-2/h5-8,23-24H,3-4H2,1-2H3