3-ethyl-2-methylidene-octanoate; 2-methylidenehexanoate; 2-methylprop-2-enoate; prop-2-enoic acid

Systemtic Name: 3-ethyl-2-methylidene-octanoate; 2-methylidenehexanoate; 2-methylprop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; 3-ethyl-2-methylene-octanoate; 2-methylenehexanoate; 2-methylprop-2-enoate CAS Name: 3-ethyl-2-methyleneoctanoate; 2-methylenehexanoate; 2-methyl-2-propenoate; 2-propenoic acid IUPAC Name: 3-ethyl-2-methylideneoctanoate; 2-methylidenehexanoate; 2-methylprop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; 2-butylacrylate; 2-(1-ethylhexyl)acrylate; methacrylate Formula: C25H39O8-3 MolecularWeight: 467.57236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(=C)C(=O)[O-].CCCCC(=C)C(=O)[O-].CC(=C)C(=O)[O-].C=CC(=O)O

Isomeric SMILES

CCCCCC(CC)C(=C)C(=O)[O-].CCCCC(=C)C(=O)[O-].CC(=C)C(=O)[O-].C=CC(=O)O

InChI

InChI=1S/C11H20O2.C7H12O2.C4H6O2.C3H4O2/c1-4-6-7-8-10(5-2)9(3)11(12)13;1-3-4-5-6(2)7(8)9;1-3(2)4(5)6;1-2-3(4)5/h10H,3-8H2,1-2H3,(H,12,13);2-5H2,1H3,(H,8,9);1H2,2H3,(H,5,6);2H,1H2,(H,4,5)/p-3