3-[3-[4-(4-bromophenyl)phenyl]-3-oxidanyl-1-phenyl-propyl]chromene-2,4-dione

Systemtic Name: 3-[3-[4-(4-bromophenyl)phenyl]-3-oxidanyl-1-phenyl-propyl]chromene-2,4-dione Openeye Name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]chromane-2,4-dione CAS Name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]chromene-2,4-dione Traditional Name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]chroman-2,4-quinone Formula: C30H23BrO4 MolecularWeight: 527.40522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4C(=O)C5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4C(=O)C5=CC=CC=C5OC4=O

InChI

InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,28,32H,18H2