5-[(3-chloranyl-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-1,3-benzodioxole

Systemtic Name: 5-[(3-chloranyl-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-1,3-benzodioxole Openeye Name: 5-[(3-chloro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-1,3-benzodioxole CAS Name: 5-[(3-chloro-2-phenyl-1-cyclohexa-1,3-dienyl)methyl]-1,3-benzodioxole IUPAC Name: 5-[(3-chloro-2-phenylcyclohexa-1,3-dien-1-yl)methyl]-1,3-benzodioxole Traditional Name: 5-[(3-chloro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-1,3-benzodioxole Formula: C20H17ClO2 MolecularWeight: 324.80078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)Cl)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=C(C(=C1)Cl)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17ClO2/c21-17-8-4-7-16(20(17)15-5-2-1-3-6-15)11-14-9-10-18-19(12-14)23-13-22-18/h1-3,5-6,8-10,12H,4,7,11,13H2