butanoate; 2-phenylethanoate

Systemtic Name: butanoate; 2-phenylethanoate Openeye Name: butanoate; 2-phenylacetate CAS Name: butanoate; 2-phenylacetate IUPAC Name: butanoate; 2-phenylacetate Traditional Name: butyrate; 2-phenylacetate Formula: C12H14O4-2 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2.C4H8O2/c9-8(10)6-7-4-2-1-3-5-7;1-2-3-4(5)6/h1-5H,6H2,(H,9,10);2-3H2,1H3,(H,5,6)/p-2