3,5-bis(iodanyl)-2-(1-methylpyrrolidin-3-yl)oxy-benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-(1-methylpyrrolidin-3-yl)oxy-benzoic acid Openeye Name: 3,5-diiodo-2-(1-methylpyrrolidin-3-yl)oxy-benzoic acid CAS Name: 3,5-diiodo-2-[(1-methyl-3-pyrrolidinyl)oxy]benzoic acid IUPAC Name: 3,5-diiodo-2-(1-methylpyrrolidin-3-yl)oxybenzoic acid Traditional Name: 3,5-diiodo-2-(1-methylpyrrolidin-3-yl)oxy-benzoic acid Formula: C12H13I2NO3 MolecularWeight: 473.04546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

CN1CCC(C1)OC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C12H13I2NO3/c1-15-3-2-8(6-15)18-11-9(12(16)17)4-7(13)5-10(11)14/h4-5,8H,2-3,6H2,1H3,(H,16,17)