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

Systemtic Name: 4-(6-hexyl-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 4-(6-hexyl-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 4-(6-hexyl-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 4-(6-hexyl-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 4-(6-hexyl-1,3-benzothiazol-2-yl)benzoic acid Formula: C20H21NO2S MolecularWeight: 339.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21NO2S/c1-2-3-4-5-6-14-7-12-17-18(13-14)24-19(21-17)15-8-10-16(11-9-15)20(22)23/h7-13H,2-6H2,1H3,(H,22,23)