3-methylidene-2-(2-oxidanylidenebutyl)-2-phenethyl-butanedioate

Systemtic Name: 3-methylidene-2-(2-oxidanylidenebutyl)-2-phenethyl-butanedioate Openeye Name: 3-methylene-2-(2-oxobutyl)-2-phenethyl-butanedioate CAS Name: 3-methylene-2-(2-oxobutyl)-2-phenethylbutanedioate IUPAC Name: 3-methylidene-2-(2-oxobutyl)-2-phenethylbutanedioate Traditional Name: 2-(2-ketobutyl)-3-methylene-2-phenethyl-succinate Formula: C17H18O5-2 MolecularWeight: 302.32182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(CCC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=O)CC(CCC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H20O5/c1-3-14(18)11-17(16(21)22,12(2)15(19)20)10-9-13-7-5-4-6-8-13/h4-8H,2-3,9-11H2,1H3,(H,19,20)(H,21,22)/p-2