1-[4-[2-[4-(3-oxidanylidenebutanoyl)phenoxy]ethoxy]phenyl]butane-1,3-dione

Systemtic Name: 1-[4-[2-[4-(3-oxidanylidenebutanoyl)phenoxy]ethoxy]phenyl]butane-1,3-dione Openeye Name: 1-[4-[2-[4-(3-oxobutanoyl)phenoxy]ethoxy]phenyl]butane-1,3-dione CAS Name: 1-[4-[2-[4-(1,3-dioxobutyl)phenoxy]ethoxy]phenyl]butane-1,3-dione IUPAC Name: 1-[4-[2-[4-(3-oxobutanoyl)phenoxy]ethoxy]phenyl]butane-1,3-dione Traditional Name: 1-[4-[2-(4-acetoacetylphenoxy)ethoxy]phenyl]butane-1,3-dione Formula: C22H22O6 MolecularWeight: 382.40648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)CC(=O)C

InChI

InChI=1S/C22H22O6/c1-15(23)13-21(25)17-3-7-19(8-4-17)27-11-12-28-20-9-5-18(6-10-20)22(26)14-16(2)24/h3-10H,11-14H2,1-2H3