8-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate

Systemtic Name: 8-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Openeye Name: 8-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate CAS Name: 8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylate IUPAC Name: 8-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Traditional Name: 8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCCC(O2)C(=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CCCC(O2)C(=O)[O-])C=C1

InChI

InChI=1S/C12H14O4/c1-15-9-6-5-8-3-2-4-10(12(13)14)16-11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14)/p-1