4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H28N2O4S/c1-29-16-6-4-2-3-5-7-17-30-21-14-12-19(13-15-21)23-26-25-22(31-23)18-8-10-20(11-9-18)24(27)28/h8-15H,2-7,16-17H2,1H3,(H,27,28)