4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25NO2S/c1-2-3-4-5-6-7-8-16-9-14-19-20(15-16)26-21(23-19)17-10-12-18(13-11-17)22(24)25/h9-15H,2-8H2,1H3,(H,24,25)