3-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-ethoxy-4-(hydroxymethyl)-6-iodo-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzoic acid Traditional Name: 3-[(2-ethoxy-6-iodo-4-methylol-phenoxy)methyl]benzoic acid Formula: C17H17IO5 MolecularWeight: 428.21835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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