3-iodanyl-4-(1-prop-2-enoyloxyhexoxy)benzoic acid

Systemtic Name: 3-iodanyl-4-(1-prop-2-enoyloxyhexoxy)benzoic acid Openeye Name: 3-iodo-4-(1-prop-2-enoyloxyhexoxy)benzoic acid CAS Name: 3-iodo-4-[1-(1-oxoprop-2-enoxy)hexoxy]benzoic acid IUPAC Name: 3-iodo-4-(1-prop-2-enoyloxyhexoxy)benzoic acid Traditional Name: 4-(1-acryloyloxyhexoxy)-3-iodo-benzoic acid Formula: C16H19IO5 MolecularWeight: 418.22353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(OC1=C(C=C(C=C1)C(=O)O)I)OC(=O)C=C

Isomeric SMILES

CCCCCC(OC1=C(C=C(C=C1)C(=O)O)I)OC(=O)C=C

InChI

InChI=1S/C16H19IO5/c1-3-5-6-7-15(22-14(18)4-2)21-13-9-8-11(16(19)20)10-12(13)17/h4,8-10,15H,2-3,5-7H2,1H3,(H,19,20)