hexyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate

Systemtic Name: hexyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Openeye Name: hexyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate CAS Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid hexyl ester IUPAC Name: hexyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Traditional Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid hexyl ester Formula: C28H37NO2S MolecularWeight: 451.66388

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO2S/c1-3-5-7-9-10-11-13-22-14-19-25-26(21-22)32-27(29-25)23-15-17-24(18-16-23)28(30)31-20-12-8-6-4-2/h14-19,21H,3-13,20H2,1-2H3