3-[3-(4-bromophenyl)cyclohex-2-en-1-yl]chromene-2,4-dione

Systemtic Name: 3-[3-(4-bromophenyl)cyclohex-2-en-1-yl]chromene-2,4-dione Openeye Name: 3-[3-(4-bromophenyl)cyclohex-2-en-1-yl]chromane-2,4-dione CAS Name: 3-[3-(4-bromophenyl)-1-cyclohex-2-enyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[3-(4-bromophenyl)cyclohex-2-en-1-yl]chromene-2,4-dione Traditional Name: 3-[3-(4-bromophenyl)cyclohex-2-en-1-yl]chroman-2,4-quinone Formula: C21H17BrO3 MolecularWeight: 397.26188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C(C1)C2=CC=C(C=C2)Br)C3C(=O)C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC(C=C(C1)C2=CC=C(C=C2)Br)C3C(=O)C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H17BrO3/c22-16-10-8-13(9-11-16)14-4-3-5-15(12-14)19-20(23)17-6-1-2-7-18(17)25-21(19)24/h1-2,6-12,15,19H,3-5H2