3-nitro-4-[6-(2-nitro-4-sulfo-phenoxy)-6-oxidanylidene-hexanoyl]oxy-benzenesulfonic acid

Systemtic Name: 3-nitro-4-[6-(2-nitro-4-sulfo-phenoxy)-6-oxidanylidene-hexanoyl]oxy-benzenesulfonic acid Openeye Name: 3-nitro-4-[6-(2-nitro-4-sulfo-phenoxy)-6-oxo-hexanoyl]oxy-benzenesulfonic acid CAS Name: 3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-1,6-dioxohexoxy]benzenesulfonic acid IUPAC Name: 3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid Traditional Name: 4-[6-keto-6-(2-nitro-4-sulfo-phenoxy)hexanoyl]oxy-3-nitro-besylic acid Formula: C18H16N2O14S2 MolecularWeight: 548.45464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])OC(=O)CCCCC(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])OC(=O)CCCCC(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O14S2/c21-17(33-15-7-5-11(35(27,28)29)9-13(15)19(23)24)3-1-2-4-18(22)34-16-8-6-12(36(30,31)32)10-14(16)20(25)26/h5-10H,1-4H2,(H,27,28,29)(H,30,31,32)