3-methylbenzo[b][1]benzoxepine-5-carboxylic acid

Systemtic Name: 3-methylbenzo[b][1]benzoxepine-5-carboxylic acid Openeye Name: 3-methylbenzo[b][1]benzoxepine-5-carboxylic acid CAS Name: 3-methyl-5-benzo[b][1]benzoxepincarboxylic acid IUPAC Name: 3-methylbenzo[b][1]benzoxepine-5-carboxylic acid Traditional Name: 3-methylbenzo[b][1]benzoxepin-5-carboxylic acid Formula: C16H12O3 MolecularWeight: 252.26468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C16H12O3/c1-10-6-7-15-12(8-10)13(16(17)18)9-11-4-2-3-5-14(11)19-15/h2-9H,1H3,(H,17,18)