4-ethylsulfanyl-3,6-dinitro-chromen-2-one

Systemtic Name: 4-ethylsulfanyl-3,6-dinitro-chromen-2-one Openeye Name: 4-ethylsulfanyl-3,6-dinitro-chromen-2-one CAS Name: 4-(ethylthio)-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-ethylsulfanyl-3,6-dinitrochromen-2-one Traditional Name: 4-(ethylthio)-3,6-dinitro-coumarin Formula: C11H8N2O6S MolecularWeight: 296.25602

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)OC2=C1C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C(=O)OC2=C1C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N2O6S/c1-2-20-10-7-5-6(12(15)16)3-4-8(7)19-11(14)9(10)13(17)18/h3-5H,2H2,1H3