4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-2-3-4-5-6-7-16-28-20-14-12-18(13-15-20)22-25-24-21(29-22)17-8-10-19(11-9-17)23(26)27/h8-15H,2-7,16H2,1H3,(H,26,27)