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

Systemtic Name: O-(4-butylphenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate Openeye Name: O-(4-butylphenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate CAS Name: 2-(4-butylphenyl)-1,3-dioxane-5-carbothioic acid O-(4-butylphenyl) ester IUPAC Name: O-(4-butylphenyl) 2-(4-butylphenyl)-1,3-dioxane-5-carbothioate Traditional Name: 2-(4-butylphenyl)-1,3-dioxane-5-carbothioic acid O-(4-butylphenyl) ester Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2OCC(CO2)C(=S)OC3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2OCC(CO2)C(=S)OC3=CC=C(C=C3)CCCC

InChI

InChI=1S/C25H32O3S/c1-3-5-7-19-9-13-21(14-10-19)24-26-17-22(18-27-24)25(29)28-23-15-11-20(12-16-23)8-6-4-2/h9-16,22,24H,3-8,17-18H2,1-2H3