O-(4-pentylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)benzenecarbothioate

Systemtic Name: O-(4-pentylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)benzenecarbothioate Openeye Name: O-(4-pentylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)benzenecarbothioate CAS Name: 4-(5-ethyl-1,3-dioxan-2-yl)benzenecarbothioic acid O-(4-pentylphenyl) ester IUPAC Name: O-(4-pentylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)benzenecarbothioate Traditional Name: 4-(5-ethyl-1,3-dioxan-2-yl)thiobenzoic acid O-(4-amylphenyl) ester Formula: C24H30O3S MolecularWeight: 398.5582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=S)C2=CC=C(C=C2)C3OCC(CO3)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=S)C2=CC=C(C=C2)C3OCC(CO3)CC

InChI

InChI=1S/C24H30O3S/c1-3-5-6-7-19-8-14-22(15-9-19)27-24(28)21-12-10-20(11-13-21)23-25-16-18(4-2)17-26-23/h8-15,18,23H,3-7,16-17H2,1-2H3