7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylic acid Openeye Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylic acid CAS Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid IUPAC Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylic acid Traditional Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid Formula: C16H13ClO4 MolecularWeight: 304.72502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C(O1)C=CC(=C2)Cl)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1COC(C2=C(O1)C=CC(=C2)Cl)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H13ClO4/c17-12-6-7-14-13(10-12)16(15(18)19,21-9-8-20-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)