2-[2,3-dimethyl-4-(2-methylidenehexanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,3-dimethyl-4-(2-methylidenehexanoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,3-dimethyl-4-(2-methylenehexanoyl)phenoxy]acetic acid CAS Name: 2-[2,3-dimethyl-4-(2-methylene-1-oxohexyl)phenoxy]acetic acid IUPAC Name: 2-[2,3-dimethyl-4-(2-methylidenehexanoyl)phenoxy]acetic acid Traditional Name: 2-[4-(2-butylacryloyl)-2,3-dimethyl-phenoxy]acetic acid Formula: C17H22O4 MolecularWeight: 290.35418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)C)C

Isomeric SMILES

CCCCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)C)C

InChI

InChI=1S/C17H22O4/c1-5-6-7-11(2)17(20)14-8-9-15(13(4)12(14)3)21-10-16(18)19/h8-9H,2,5-7,10H2,1,3-4H3,(H,18,19)