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

Systemtic Name: [3-[2-(4-hexylphenyl)-1,3-thiazol-4-yl]phenyl] nonanoate Openeye Name: [3-[2-(4-hexylphenyl)thiazol-4-yl]phenyl] nonanoate CAS Name: nonanoic acid [3-[2-(4-hexylphenyl)-4-thiazolyl]phenyl] ester IUPAC Name: [3-[2-(4-hexylphenyl)-1,3-thiazol-4-yl]phenyl] nonanoate Traditional Name: pelargonic acid [3-[2-(4-hexylphenyl)thiazol-4-yl]phenyl] ester Formula: C30H39NO2S MolecularWeight: 477.70116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C30H39NO2S/c1-3-5-7-9-10-12-17-29(32)33-27-16-13-15-26(22-27)28-23-34-30(31-28)25-20-18-24(19-21-25)14-11-8-6-4-2/h13,15-16,18-23H,3-12,14,17H2,1-2H3