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

Systemtic Name: [4-[2-(4-octylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Openeye Name: [4-[2-(4-octylphenyl)thiazol-5-yl]phenyl] nonanoate CAS Name: nonanoic acid [4-[2-(4-octylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[2-(4-octylphenyl)thiazol-5-yl]phenyl] ester Formula: C32H43NO2S MolecularWeight: 505.75432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCCCC

InChI

InChI=1S/C32H43NO2S/c1-3-5-7-9-11-13-15-26-17-19-28(20-18-26)32-33-25-30(36-32)27-21-23-29(24-22-27)35-31(34)16-14-12-10-8-6-4-2/h17-25H,3-16H2,1-2H3