ethyl 5,9-bis(oxidanyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 5,9-bis(oxidanyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 5,9-dihydroxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate CAS Name: 5,9-dihydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5,9-dihydroxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate Traditional Name: 5,9-dihydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCOC2=C(C1O)C=CC=C2O

Isomeric SMILES

CCOC(=O)C1CCOC2=C(C1O)C=CC=C2O

InChI

InChI=1S/C13H16O5/c1-2-17-13(16)9-6-7-18-12-8(11(9)15)4-3-5-10(12)14/h3-5,9,11,14-15H,2,6-7H2,1H3