[4-[2,4-bis(oxidanylidene)pentan-3-yl]phenyl] 4-decoxybenzoate

Systemtic Name: [4-[2,4-bis(oxidanylidene)pentan-3-yl]phenyl] 4-decoxybenzoate Openeye Name: [4-(1-acetyl-2-oxo-propyl)phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-(2,4-dioxopentan-3-yl)phenyl] ester IUPAC Name: [4-(2,4-dioxopentan-3-yl)phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-(1-acetyl-2-keto-propyl)phenyl] ester Formula: C28H36O5 MolecularWeight: 452.58244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C(=O)C)C(=O)C

InChI

InChI=1S/C28H36O5/c1-4-5-6-7-8-9-10-11-20-32-25-16-14-24(15-17-25)28(31)33-26-18-12-23(13-19-26)27(21(2)29)22(3)30/h12-19,27H,4-11,20H2,1-3H3