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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CCCCCC

InChI

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