2-(2-bromanyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid

Systemtic Name: 2-(2-bromanyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid Openeye Name: 2-(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid CAS Name: 2-(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid IUPAC Name: 2-(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Traditional Name: 2-(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Formula: C16H13BrO3 MolecularWeight: 333.17662

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)Br)CC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)Br)CC(=O)O

InChI

InChI=1S/C16H13BrO3/c17-11-5-6-15-14(7-11)13(8-16(18)19)12-4-2-1-3-10(12)9-20-15/h1-7,13H,8-9H2,(H,18,19)