3-[butyl(dimethyl)silyl]propyl 4-phenylbenzoate; 5-hexylthiophene-2-carboxylate

Systemtic Name: 3-[butyl(dimethyl)silyl]propyl 4-phenylbenzoate; 5-hexylthiophene-2-carboxylate Openeye Name: 3-[butyl(dimethyl)silyl]propyl 4-phenylbenzoate; 5-hexylthiophene-2-carboxylate CAS Name: 5-hexyl-2-thiophenecarboxylate; 4-phenylbenzoic acid 3-[butyl(dimethyl)silyl]propyl ester IUPAC Name: 3-[butyl(dimethyl)silyl]propyl 4-phenylbenzoate; 5-hexylthiophene-2-carboxylate Traditional Name: 5-hexyl-2-thenoate; 4-phenylbenzoic acid 3-[butyl(dimethyl)silyl]propyl ester Formula: C33H45O4SSi- MolecularWeight: 565.8585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C(=O)[O-].CCCC[Si](C)(C)CCCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CC=C(S1)C(=O)[O-].CCCC[Si](C)(C)CCCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H30O2Si.C11H16O2S/c1-4-5-17-25(2,3)18-9-16-24-22(23)21-14-12-20(13-15-21)19-10-7-6-8-11-19;1-2-3-4-5-6-9-7-8-10(14-9)11(12)13/h6-8,10-15H,4-5,9,16-18H2,1-3H3;7-8H,2-6H2,1H3,(H,12,13)/p-1