(4-octoxyphenyl) 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoate CAS Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoate Traditional Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C32H44N2O3S MolecularWeight: 536.76836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C32H44N2O3S/c1-3-5-7-9-11-12-14-16-30-33-34-31(38-30)26-17-19-27(20-18-26)32(35)37-29-23-21-28(22-24-29)36-25-15-13-10-8-6-4-2/h17-24H,3-16,25H2,1-2H3