4-(2,2-dimethylicosanethioyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one

Systemtic Name: 4-(2,2-dimethylicosanethioyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one Openeye Name: 4-(2,2-dimethylicosanethioyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one CAS Name: 4-(2,2-dimethyl-1-sulfanylideneeicosyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one IUPAC Name: 4-(2,2-dimethylicosanethioyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one Traditional Name: 4-(2,2-dimethyleicosanethioyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one Formula: C31H48F3NO2S MolecularWeight: 555.77853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(C)C(=S)N1C(=O)COC2=C1C=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(C)C(=S)N1C(=O)COC2=C1C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C31H48F3NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30(2,3)29(38)35-26-23-25(31(32,33)34)20-21-27(26)37-24-28(35)36/h20-21,23H,4-19,22,24H2,1-3H3