2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)ethanoic acid

Systemtic Name: 2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)ethanoic acid Openeye Name: 2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)acetic acid CAS Name: 2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)acetic acid IUPAC Name: 2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)acetic acid Traditional Name: 2-(4a,11a-dihydrobenzo[c][1]benzoxepin-3-yl)acetic acid Formula: C16H14O3 MolecularWeight: 254.28056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3C=CC(=CC3OC=C2C=C1)CC(=O)O

Isomeric SMILES

C1=CC2=CC3C=CC(=CC3OC=C2C=C1)CC(=O)O

InChI

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