O-(4-nitrophenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate

Systemtic Name: O-(4-nitrophenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate Openeye Name: O-(4-nitrophenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate CAS Name: 2-(4-butylphenyl)-1,3-dioxane-5-carbothioic acid O-(4-nitrophenyl) ester IUPAC Name: O-(4-nitrophenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate Traditional Name: 2-(4-butylphenyl)-1,3-dioxane-5-carbothioic acid O-(4-nitrophenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2OCC(CO2)C(=S)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2OCC(CO2)C(=S)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO5S/c1-2-3-4-15-5-7-16(8-6-15)20-25-13-17(14-26-20)21(28)27-19-11-9-18(10-12-19)22(23)24/h5-12,17,20H,2-4,13-14H2,1H3