4-iodanyl-4-[5-(phenylmethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]butanoic acid

Systemtic Name: 4-iodanyl-4-[5-(phenylmethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]butanoic acid Openeye Name: 4-[5-(benzyloxymethyl)-2,3,3a,4,5,6,7,7a-octahydrobenzofuran-2-yl]-4-iodo-butanoic acid CAS Name: 4-iodo-4-[5-(phenylmethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydrobenzofuran-2-yl]butanoic acid IUPAC Name: 4-iodo-4-[5-(phenylmethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]butanoic acid Traditional Name: 4-[5-(benzoxymethyl)-2,3,3a,4,5,6,7,7a-octahydrobenzofuran-2-yl]-4-iodo-butyric acid Formula: C20H27IO4 MolecularWeight: 458.33045

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1COCC3=CC=CC=C3)CC(O2)C(CCC(=O)O)I

Isomeric SMILES

C1CC2C(CC1COCC3=CC=CC=C3)CC(O2)C(CCC(=O)O)I

InChI

InChI=1S/C20H27IO4/c21-17(7-9-20(22)23)19-11-16-10-15(6-8-18(16)25-19)13-24-12-14-4-2-1-3-5-14/h1-5,15-19H,6-13H2,(H,22,23)