4-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzoate Openeye Name: 4-[[2-ethoxy-4-(hydroxymethyl)-6-iodo-phenoxy]methyl]benzoate CAS Name: 4-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzoate IUPAC Name: 4-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzoate Traditional Name: 4-[(2-ethoxy-6-iodo-4-methylol-phenoxy)methyl]benzoate Formula: C17H16IO5- MolecularWeight: 427.21041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CO)I)OCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CO)I)OCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H17IO5/c1-2-22-15-8-12(9-19)7-14(18)16(15)23-10-11-3-5-13(6-4-11)17(20)21/h3-8,19H,2,9-10H2,1H3,(H,20,21)/p-1