2-(5-chloranylbenzotriazol-2-yl)pyren-1-ol

Systemtic Name: 2-(5-chloranylbenzotriazol-2-yl)pyren-1-ol Openeye Name: 2-(5-chlorobenzotriazol-2-yl)pyren-1-ol CAS Name: 2-(5-chloro-2-benzotriazolyl)-1-pyrenol IUPAC Name: 2-(5-chlorobenzotriazol-2-yl)pyren-1-ol Traditional Name: 2-(5-chlorobenzotriazol-2-yl)pyren-1-ol Formula: C22H12ClN3O MolecularWeight: 369.80318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4O)N5N=C6C=CC(=CC6=N5)Cl)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4O)N5N=C6C=CC(=CC6=N5)Cl)C=C2

InChI

InChI=1S/C22H12ClN3O/c23-15-7-9-17-18(11-15)25-26(24-17)19-10-14-5-4-12-2-1-3-13-6-8-16(22(19)27)21(14)20(12)13/h1-11,27H