2,3,4,5-tetrahydrooxepine-6,7-dicarboxylic acid

Systemtic Name: 2,3,4,5-tetrahydrooxepine-6,7-dicarboxylic acid Openeye Name: 2,3,4,5-tetrahydrooxepine-6,7-dicarboxylic acid CAS Name: 2,3,4,5-tetrahydrooxepin-6,7-dicarboxylic acid IUPAC Name: 2,3,4,5-tetrahydrooxepine-6,7-dicarboxylic acid Traditional Name: 2,3,4,5-tetrahydrooxepin-6,7-dicarboxylic acid Formula: C8H10O5 MolecularWeight: 186.162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(=C(C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(=C(C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4-13-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)