2-phenoxyethyl 3-methyl-2-oxidanylidene-butanoate

Systemtic Name: 2-phenoxyethyl 3-methyl-2-oxidanylidene-butanoate Openeye Name: 2-phenoxyethyl 3-methyl-2-oxo-butanoate CAS Name: 3-methyl-2-oxobutanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-methyl-2-oxobutanoate Traditional Name: 2-keto-3-methyl-butyric acid 2-phenoxyethyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=O)OCCOC1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)C(=O)OCCOC1=CC=CC=C1

InChI

InChI=1S/C13H16O4/c1-10(2)12(14)13(15)17-9-8-16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3