2-[4-oxidanylidene-4-(2,4,6-trimethylphenyl)butyl]propanedioate

Systemtic Name: 2-[4-oxidanylidene-4-(2,4,6-trimethylphenyl)butyl]propanedioate Openeye Name: 2-[4-oxo-4-(2,4,6-trimethylphenyl)butyl]propanedioate CAS Name: 2-[4-oxo-4-(2,4,6-trimethylphenyl)butyl]propanedioate IUPAC Name: 2-[4-oxo-4-(2,4,6-trimethylphenyl)butyl]propanedioate Traditional Name: 2-(4-keto-4-mesityl-butyl)malonate Formula: C16H18O5-2 MolecularWeight: 290.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CCCC(C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CCCC(C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C16H20O5/c1-9-7-10(2)14(11(3)8-9)13(17)6-4-5-12(15(18)19)16(20)21/h7-8,12H,4-6H2,1-3H3,(H,18,19)(H,20,21)/p-2