(E)-3-(1-adamantyl)-2-methyl-prop-2-enoic acid; 3-ethyl-2-methylidene-nonanoate

Systemtic Name: (E)-3-(1-adamantyl)-2-methyl-prop-2-enoic acid; 3-ethyl-2-methylidene-nonanoate Openeye Name: (E)-3-(1-adamantyl)-2-methyl-prop-2-enoic acid; 3-ethyl-2-methylene-nonanoate CAS Name: (E)-3-(1-adamantyl)-2-methyl-2-propenoic acid; 3-ethyl-2-methylenenonanoate IUPAC Name: (E)-3-(1-adamantyl)-2-methylprop-2-enoic acid; 3-ethyl-2-methylidenenonanoate Traditional Name: (E)-3-(1-adamantyl)-2-methyl-acrylic acid; 2-(1-ethylheptyl)acrylate Formula: C26H41O4- MolecularWeight: 417.60134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C(=C)C(=O)[O-].CC(=CC12CC3CC(C1)CC(C3)C2)C(=O)O

Isomeric SMILES

CCCCCCC(CC)C(=C)C(=O)[O-].C/C(=C\C12CC3CC(C1)CC(C3)C2)/C(=O)O

InChI

InChI=1S/C14H20O2.C12H22O2/c1-9(13(15)16)5-14-6-10-2-11(7-14)4-12(3-10)8-14;1-4-6-7-8-9-11(5-2)10(3)12(13)14/h5,10-12H,2-4,6-8H2,1H3,(H,15,16);11H,3-9H2,1-2H3,(H,13,14)/p-1/b9-5+;