5-ethyl-2-methylidene-nonanoic acid; 2-methylideneheptanoate; 2-methylidenenonanoic acid; 2-methylideneundecanoic acid

Systemtic Name: 5-ethyl-2-methylidene-nonanoic acid; 2-methylideneheptanoate; 2-methylidenenonanoic acid; 2-methylideneundecanoic acid Openeye Name: 5-ethyl-2-methylene-nonanoic acid; 2-methyleneheptanoate; 2-methylenenonanoic acid; 2-methyleneundecanoic acid CAS Name: 5-ethyl-2-methylenenonanoic acid; 2-methyleneheptanoate; 2-methylenenonanoic acid; 2-methyleneundecanoic acid IUPAC Name: 5-ethyl-2-methylidenenonanoic acid; 2-methylideneheptanoate; 2-methylidenenonanoic acid; 2-methylideneundecanoic acid Traditional Name: 2-amylacrylate; 2-(3-ethylheptyl)acrylic acid; 2-heptylacrylic acid; 2-nonylacrylic acid Formula: C42H75O8- MolecularWeight: 708.0401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H22O2.C10H18O2.C8H14O2/c1-4-6-7-11(5-2)9-8-10(3)12(13)14;1-3-4-5-6-7-8-9-10-11(2)12(13)14;1-3-4-5-6-7-8-9(2)10(11)12;1-3-4-5-6-7(2)8(9)10/h11H,3-9H2,1-2H3,(H,13,14);2-10H2,1H3,(H,13,14);2-8H2,1H3,(H,11,12);2-6H2,1H3,(H,9,10)/p-1