ethyl 9-iodanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-iodanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 5-hydroxy-9-iodo-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate CAS Name: 5-hydroxy-9-iodo-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-9-iodo-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Traditional Name: 5-hydroxy-9-iodo-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H15IO4 MolecularWeight: 362.16027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCOC2=C(C1O)C=CC=C2I

Isomeric SMILES

CCOC(=O)C1CCOC2=C(C1O)C=CC=C2I

InChI

InChI=1S/C13H15IO4/c1-2-17-13(16)9-6-7-18-12-8(11(9)15)4-3-5-10(12)14/h3-5,9,11,15H,2,6-7H2,1H3