[3-[4-fluoranyl-2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate

Systemtic Name: [3-[4-fluoranyl-2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Openeye Name: [3-[4-fluoro-2-(4-hexylphenyl)thiazol-5-yl]phenyl] nonanoate CAS Name: nonanoic acid [3-[4-fluoro-2-(4-hexylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [3-[4-fluoro-2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Traditional Name: pelargonic acid [3-[4-fluoro-2-(4-hexylphenyl)thiazol-5-yl]phenyl] ester Formula: C30H38FNO2S MolecularWeight: 495.691623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=CC(=C1)C2=C(N=C(S2)C3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=CC(=C1)C2=C(N=C(S2)C3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C30H38FNO2S/c1-3-5-7-9-10-12-17-27(33)34-26-16-13-15-25(22-26)28-29(31)32-30(35-28)24-20-18-23(19-21-24)14-11-8-6-4-2/h13,15-16,18-22H,3-12,14,17H2,1-2H3