2-ethylhexyl 3-(4-phenylphenyl)sulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-(4-phenylphenyl)sulfanylpropanoate Openeye Name: 2-ethylhexyl 3-(4-phenylphenyl)sulfanylpropanoate CAS Name: 3-[(4-phenylphenyl)thio]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(4-phenylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-phenylphenyl)thio]propionic acid 2-ethylhexyl ester Formula: C23H30O2S MolecularWeight: 370.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H30O2S/c1-3-5-9-19(4-2)18-25-23(24)16-17-26-22-14-12-21(13-15-22)20-10-7-6-8-11-20/h6-8,10-15,19H,3-5,9,16-18H2,1-2H3