benzotriazol-1-yl 2-chloranyl-4-[4-(4-pentoxyphenyl)phenyl]benzoate

Systemtic Name: benzotriazol-1-yl 2-chloranyl-4-[4-(4-pentoxyphenyl)phenyl]benzoate Openeye Name: benzotriazol-1-yl 2-chloro-4-[4-(4-pentoxyphenyl)phenyl]benzoate CAS Name: 2-chloro-4-[4-(4-pentoxyphenyl)phenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-chloro-4-[4-(4-pentoxyphenyl)phenyl]benzoate Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]-2-chloro-benzoic acid benzotriazol-1-yl ester Formula: C30H26ClN3O3 MolecularWeight: 511.99874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26ClN3O3/c1-2-3-6-19-36-25-16-13-22(14-17-25)21-9-11-23(12-10-21)24-15-18-26(27(31)20-24)30(35)37-34-29-8-5-4-7-28(29)32-33-34/h4-5,7-18,20H,2-3,6,19H2,1H3