5,6-dihydrobenzo[b][1]benzoxepine-1,10-dicarboxylic acid

Systemtic Name: 5,6-dihydrobenzo[b][1]benzoxepine-1,10-dicarboxylic acid Openeye Name: 5,6-dihydrobenzo[b][1]benzoxepine-1,10-dicarboxylic acid CAS Name: 5,6-dihydrobenzo[b][1]benzoxepin-1,10-dicarboxylic acid IUPAC Name: 5,6-dihydrobenzo[b][1]benzoxepine-1,10-dicarboxylic acid Traditional Name: 5,6-dihydrobenzo[b][1]benzoxepin-1,10-dicarboxylic acid Formula: C16H12O5 MolecularWeight: 284.26348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC(=C2OC3=C(C=CC=C31)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC(=C2OC3=C(C=CC=C31)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O5/c17-15(18)11-5-1-3-9-7-8-10-4-2-6-12(16(19)20)14(10)21-13(9)11/h1-6H,7-8H2,(H,17,18)(H,19,20)