4-ethyl-2-methylidene-octanoate; (Z)-2-methyl-4-phenyl-but-2-enoate

Systemtic Name: 4-ethyl-2-methylidene-octanoate; (Z)-2-methyl-4-phenyl-but-2-enoate Openeye Name: 4-ethyl-2-methylene-octanoate; (Z)-2-methyl-4-phenyl-but-2-enoate CAS Name: 4-ethyl-2-methyleneoctanoate; (Z)-2-methyl-4-phenyl-2-butenoate IUPAC Name: 4-ethyl-2-methylideneoctanoate; (Z)-2-methyl-4-phenylbut-2-enoate Traditional Name: 2-(2-ethylhexyl)acrylate; (Z)-2-methyl-4-phenyl-but-2-enoate Formula: C22H30O4-2 MolecularWeight: 358.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C)C(=O)[O-].CC(=CCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(=C)C(=O)[O-].C/C(=C/CC1=CC=CC=C1)/C(=O)[O-]

InChI

InChI=1S/C11H12O2.C11H20O2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;1-4-6-7-10(5-2)8-9(3)11(12)13/h2-7H,8H2,1H3,(H,12,13);10H,3-8H2,1-2H3,(H,12,13)/p-2/b9-7-;