2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)ethanoic acid

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)ethanoic acid Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetic acid CAS Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetic acid IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetic acid Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetic acid Formula: C16H14O3 MolecularWeight: 254.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC(=O)O)OC3=CC=CC=C31

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC(=O)O)OC3=CC=CC=C31

InChI

InChI=1S/C16H14O3/c17-16(18)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)19-15/h1-5,8-9H,6-7,10H2,(H,17,18)