4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-(2-diethylaminoethyloxy)-3,5-diiodo-benzoic acid CAS Name: 4-(2-diethylaminoethyloxy)-3,5-diiodobenzoic acid IUPAC Name: 4-(2-diethylaminoethyloxy)-3,5-diiodobenzoic acid Traditional Name: 4-(2-diethylaminoethyloxy)-3,5-diiodo-benzoic acid Formula: C13H17I2NO3 MolecularWeight: 489.08792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1I)C(=O)O)I

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1I)C(=O)O)I

InChI

InChI=1S/C13H17I2NO3/c1-3-16(4-2)5-6-19-12-10(14)7-9(13(17)18)8-11(12)15/h7-8H,3-6H2,1-2H3,(H,17,18)