2-(benzotriazol-2-yl)phenol; 1-ethyl-3-iodanyl-5-methyl-benzene

Systemtic Name: 2-(benzotriazol-2-yl)phenol; 1-ethyl-3-iodanyl-5-methyl-benzene Openeye Name: 2-(benzotriazol-2-yl)phenol; 1-ethyl-3-iodo-5-methyl-benzene CAS Name: 2-(2-benzotriazolyl)phenol; 1-ethyl-3-iodo-5-methylbenzene IUPAC Name: 2-(benzotriazol-2-yl)phenol; 1-ethyl-3-iodo-5-methylbenzene Traditional Name: 2-(benzotriazol-2-yl)phenol; 1-ethyl-3-iodo-5-methyl-benzene Formula: C21H20IN3O MolecularWeight: 457.30747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)I.C1=CC=C(C(=C1)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCC1=CC(=CC(=C1)C)I.C1=CC=C(C(=C1)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C12H9N3O.C9H11I/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15;1-3-8-4-7(2)5-9(10)6-8/h1-8,16H;4-6H,3H2,1-2H3