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

Systemtic Name: octyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Openeye Name: octyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate CAS Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid octyl ester IUPAC Name: octyl 4-(6-octyl-1,3-benzothiazol-2-yl)benzoate Traditional Name: 4-(6-octyl-1,3-benzothiazol-2-yl)benzoic acid octyl ester Formula: C30H41NO2S MolecularWeight: 479.71704

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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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO2S/c1-3-5-7-9-11-13-15-24-16-21-27-28(23-24)34-29(31-27)25-17-19-26(20-18-25)30(32)33-22-14-12-10-8-6-4-2/h16-21,23H,3-15,22H2,1-2H3