1-[4-[3-bromanyl-4-(6-methyloctoxy)phenyl]phenyl]decan-1-one

Systemtic Name: 1-[4-[3-bromanyl-4-(6-methyloctoxy)phenyl]phenyl]decan-1-one Openeye Name: 1-[4-[3-bromo-4-(6-methyloctoxy)phenyl]phenyl]decan-1-one CAS Name: 1-[4-[3-bromo-4-(6-methyloctoxy)phenyl]phenyl]-1-decanone IUPAC Name: 1-[4-[3-bromo-4-(6-methyloctoxy)phenyl]phenyl]decan-1-one Traditional Name: 1-[4-[3-bromo-4-(6-methyloctoxy)phenyl]phenyl]decan-1-one Formula: C31H45BrO2 MolecularWeight: 529.5918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCCC(C)CC)Br

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCCC(C)CC)Br

InChI

InChI=1S/C31H45BrO2/c1-4-6-7-8-9-10-13-16-30(33)27-19-17-26(18-20-27)28-21-22-31(29(32)24-28)34-23-14-11-12-15-25(3)5-2/h17-22,24-25H,4-16,23H2,1-3H3