4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 4-(5-nonyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H24N2O2S/c1-2-3-4-5-6-7-8-9-16-19-20-17(23-16)14-10-12-15(13-11-14)18(21)22/h10-13H,2-9H2,1H3,(H,21,22)