6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole

Systemtic Name: 6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole Openeye Name: 6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole CAS Name: 6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole IUPAC Name: 6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole Traditional Name: 6-hexyl-2-(4-octoxyphenyl)-1,3-benzothiazole Formula: C27H37NOS MolecularWeight: 423.65378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CCCCCC

InChI

InChI=1S/C27H37NOS/c1-3-5-7-9-10-12-20-29-24-17-15-23(16-18-24)27-28-25-19-14-22(21-26(25)30-27)13-11-8-6-4-2/h14-19,21H,3-13,20H2,1-2H3