sodium 3-dodecanoyl-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: sodium 3-dodecanoyl-2,4,6-tris(iodanyl)benzoic acid Openeye Name: sodium 3-dodecanoyl-2,4,6-triiodo-benzoic acid CAS Name: sodium 2,4,6-triiodo-3-(1-oxododecyl)benzoic acid IUPAC Name: sodium 3-dodecanoyl-2,4,6-triiodobenzoic acid Traditional Name: sodium 2,4,6-triiodo-3-lauroyl-benzoic acid Formula: C19H25I3NaO3+ MolecularWeight: 705.10318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(C(=C(C=C1I)I)C(=O)O)I.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(C(=C(C=C1I)I)C(=O)O)I.[Na+]

InChI

InChI=1S/C19H25I3O3.Na/c1-2-3-4-5-6-7-8-9-10-11-15(23)16-13(20)12-14(21)17(18(16)22)19(24)25;/h12H,2-11H2,1H3,(H,24,25);/q;+1