7-ethanoyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-ethanoyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-acetyl-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-acetyl-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-acetyl-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-acetyl-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxylic acid Formula: C13H14O5 MolecularWeight: 250.24726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCCC(C2O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCCC(C2O)C(=O)O

InChI

InChI=1S/C13H14O5/c1-7(14)8-2-3-11-10(6-8)12(15)9(13(16)17)4-5-18-11/h2-3,6,9,12,15H,4-5H2,1H3,(H,16,17)