[4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] 3-chloranyl-2-methyl-nonanoate

Systemtic Name: [4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] 3-chloranyl-2-methyl-nonanoate Openeye Name: [4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] 3-chloro-2-methyl-nonanoate CAS Name: 3-chloro-2-methylnonanoic acid [4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] 3-chloro-2-methylnonanoate Traditional Name: 3-chloro-2-methyl-pelargonic acid [4-(5-undecyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C29H45ClN2O2S MolecularWeight: 521.1978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCCC)Cl

InChI

InChI=1S/C29H45ClN2O2S/c1-4-6-8-10-11-12-13-14-16-18-27-31-32-28(35-27)24-19-21-25(22-20-24)34-29(33)23(3)26(30)17-15-9-7-5-2/h19-23,26H,4-18H2,1-3H3