7,8-dimethoxy-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7,8-dimethoxy-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid Openeye Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid CAS Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid Traditional Name: 5-hydroxy-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(CCO2)C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C(CCO2)C(=O)O)O)OC

InChI

InChI=1S/C13H16O6/c1-17-10-5-8-9(6-11(10)18-2)19-4-3-7(12(8)14)13(15)16/h5-7,12,14H,3-4H2,1-2H3,(H,15,16)