benzotriazol-1-yl 4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-pentoxyphenyl)-2-thienyl]benzoate CAS Name: 4-[5-(4-pentoxyphenyl)-2-thiophenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzoate Traditional Name: 4-[5-(4-amoxyphenyl)-2-thienyl]benzoic acid benzotriazol-1-yl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H25N3O3S/c1-2-3-6-19-33-23-15-13-21(14-16-23)27-18-17-26(35-27)20-9-11-22(12-10-20)28(32)34-31-25-8-5-4-7-24(25)29-30-31/h4-5,7-18H,2-3,6,19H2,1H3