ethyl 7-iodanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 7-iodanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 5-hydroxy-7-iodo-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate CAS Name: 5-hydroxy-7-iodo-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-7-iodo-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Traditional Name: 5-hydroxy-7-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=C(C=C2)I

Isomeric SMILES

CCOC(=O)C1CCOC2=C(C1O)C=C(C=C2)I

InChI

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