3-methylbutanoate; (E)-3-phenylprop-2-enoate

Systemtic Name: 3-methylbutanoate; (E)-3-phenylprop-2-enoate Openeye Name: 3-methylbutanoate; (E)-3-phenylprop-2-enoate CAS Name: 3-methylbutanoate; (E)-3-phenyl-2-propenoate IUPAC Name: 3-methylbutanoate; (E)-3-phenylprop-2-enoate Traditional Name: 3-methylbutyrate; (E)-3-phenylacrylate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)[O-].C1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H8O2.C5H10O2/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3-5(6)7/h1-7H,(H,10,11);4H,3H2,1-2H3,(H,6,7)/p-2/b7-6+;