3-nitro-4-[4-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylbutylsulfanyl]chromen-2-one

Systemtic Name: 3-nitro-4-[4-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylbutylsulfanyl]chromen-2-one Openeye Name: 3-nitro-4-[4-(3-nitro-2-oxo-chromen-4-yl)sulfanylbutylsulfanyl]chromen-2-one CAS Name: 3-nitro-4-[4-[(3-nitro-2-oxo-1-benzopyran-4-yl)thio]butylthio]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-[4-(3-nitro-2-oxochromen-4-yl)sulfanylbutylsulfanyl]chromen-2-one Traditional Name: 4-[4-[(2-keto-3-nitro-chromen-4-yl)thio]butylthio]-3-nitro-coumarin Formula: C22H16N2O8S2 MolecularWeight: 500.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SCCCCSC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SCCCCSC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8S2/c25-21-17(23(27)28)19(13-7-1-3-9-15(13)31-21)33-11-5-6-12-34-20-14-8-2-4-10-16(14)32-22(26)18(20)24(29)30/h1-4,7-10H,5-6,11-12H2