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

Systemtic Name: 4-[[4-(hydroxymethyl)-2-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(hydroxymethyl)-2-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(hydroxymethyl)-2-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(hydroxymethyl)-2-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[(2-iodo-4-methylol-phenoxy)methyl]benzoic acid Formula: C15H13IO4 MolecularWeight: 384.16579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)CO)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)CO)I)C(=O)O

InChI

InChI=1S/C15H13IO4/c16-13-7-11(8-17)3-6-14(13)20-9-10-1-4-12(5-2-10)15(18)19/h1-7,17H,8-9H2,(H,18,19)