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

Systemtic Name: butyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Openeye Name: butyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate CAS Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Traditional Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid butyl ester Formula: C26H33NO2S MolecularWeight: 423.61072

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO2S/c1-3-5-7-8-9-10-11-20-12-17-23-24(19-20)30-25(27-23)21-13-15-22(16-14-21)26(28)29-18-6-4-2/h12-17,19H,3-11,18H2,1-2H3