(E)-3-(2,3-dimethoxyphenyl)prop-2-enoate; octanoate

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate; octanoate Openeye Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate; octanoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoate; octanoate IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate; octanoate Traditional Name: caprylate; (E)-3-(2,3-dimethoxyphenyl)acrylate Formula: C19H26O6-2 MolecularWeight: 350.40614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].COC1=CC=CC(=C1OC)C=CC(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)[O-].COC1=CC=CC(=C1OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C11H12O4.C8H16O2/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13;1-2-3-4-5-6-7-8(9)10/h3-7H,1-2H3,(H,12,13);2-7H2,1H3,(H,9,10)/p-2/b7-6+;