2-[3-ethyl-5-(5-iodanylbenzotriazol-2-yl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-ethyl-5-(5-iodanylbenzotriazol-2-yl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-ethyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]acetic acid CAS Name: 2-[3-ethyl-4-hydroxy-5-(5-iodo-2-benzotriazolyl)phenyl]acetic acid IUPAC Name: 2-[3-ethyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]acetic acid Traditional Name: 2-[3-ethyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]acetic acid Formula: C16H14IN3O3 MolecularWeight: 423.20513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3O3/c1-2-10-5-9(7-15(21)22)6-14(16(10)23)20-18-12-4-3-11(17)8-13(12)19-20/h3-6,8,23H,2,7H2,1H3,(H,21,22)