methyl 3-oxidanyl-2,3-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-oxidanyl-2,3-dihydro-1-benzoxepine-7-carboxylate Openeye Name: methyl 3-hydroxy-2,3-dihydro-1-benzoxepine-7-carboxylate CAS Name: 3-hydroxy-2,3-dihydro-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,3-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 3-hydroxy-2,3-dihydro-1-benzoxepin-7-carboxylic acid methyl ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(C=C2)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(C=C2)O

InChI

InChI=1S/C12H12O4/c1-15-12(14)9-3-5-11-8(6-9)2-4-10(13)7-16-11/h2-6,10,13H,7H2,1H3