4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-(dibutylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C16H19F3N2O3S2 MolecularWeight: 408.45887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H19F3N2O3S2/c1-3-5-7-20(8-6-4-2)12-11(21(23)24)9-10(16(17,18)19)13-14(12)26-15(22)25-13/h9H,3-8H2,1-2H3