5-ethyl-2-methylidene-nonanoic acid; methyl propanoate; prop-2-enoic acid

Systemtic Name: 5-ethyl-2-methylidene-nonanoic acid; methyl propanoate; prop-2-enoic acid Openeye Name: acrylic acid; 5-ethyl-2-methylene-nonanoic acid; methyl propanoate CAS Name: 5-ethyl-2-methylenenonanoic acid; propanoic acid methyl ester; 2-propenoic acid IUPAC Name: 5-ethyl-2-methylidenenonanoic acid; methyl propanoate; prop-2-enoic acid Traditional Name: acrylic acid; 2-(3-ethylheptyl)acrylic acid; propionic acid methyl ester Formula: C19H34O6 MolecularWeight: 358.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(=C)C(=O)O.CCC(=O)OC.C=CC(=O)O

Isomeric SMILES

CCCCC(CC)CCC(=C)C(=O)O.CCC(=O)OC.C=CC(=O)O

InChI

InChI=1S/C12H22O2.C4H8O2.C3H4O2/c1-4-6-7-11(5-2)9-8-10(3)12(13)14;1-3-4(5)6-2;1-2-3(4)5/h11H,3-9H2,1-2H3,(H,13,14);3H2,1-2H3;2H,1H2,(H,4,5)