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

Systemtic Name: methyl 9-iodanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H13IO4 MolecularWeight: 348.13369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13IO4/c1-16-12(15)8-5-6-17-11-7(10(8)14)3-2-4-9(11)13/h2-4,8,10,14H,5-6H2,1H3