sodium; (E)-4-butyl-5-methylidene-hex-2-enedioic acid; prop-2-enoate

Systemtic Name: sodium; (E)-4-butyl-5-methylidene-hex-2-enedioic acid; prop-2-enoate Openeye Name: sodium; (E)-4-butyl-5-methylene-hex-2-enedioic acid; prop-2-enoate CAS Name: sodium; (E)-4-butyl-5-methylene-2-hexenedioic acid; 2-propenoate IUPAC Name: sodium; (E)-4-butyl-5-methylidenehex-2-enedioic acid; prop-2-enoate Traditional Name: sodium; acrylate; (E)-4-butyl-5-methylene-hex-2-enedioic acid Formula: C14H19NaO6 MolecularWeight: 306.28683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CC(=O)O)C(=C)C(=O)O.C=CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(/C=C/C(=O)O)C(=C)C(=O)O.C=CC(=O)[O-].[Na+]

InChI

InChI=1S/C11H16O4.C3H4O2.Na/c1-3-4-5-9(6-7-10(12)13)8(2)11(14)15;1-2-3(4)5;/h6-7,9H,2-5H2,1H3,(H,12,13)(H,14,15);2H,1H2,(H,4,5);/q;;+1/p-1/b7-6+;;