2-dodecanoyloxy-5-iodanyl-benzoic acid

Systemtic Name: 2-dodecanoyloxy-5-iodanyl-benzoic acid Openeye Name: 2-dodecanoyloxy-5-iodanyl-benzoic acid CAS Name: 5-iodanyl-2-(1-oxododecoxy)benzoic acid IUPAC Name: 2-dodecanoyloxy-5-iodanylbenzoic acid Traditional Name: 5-iodanyl-2-lauroyloxy-benzoic acid Formula: C19H27IO4 MolecularWeight: 450.321404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)[131I])C(=O)O

InChI

InChI=1S/C19H27IO4/c1-2-3-4-5-6-7-8-9-10-11-18(21)24-17-13-12-15(20)14-16(17)19(22)23/h12-14H,2-11H2,1H3,(H,22,23)/i20+4