4-phenylbutanoate; 2-phenylethanoate

Systemtic Name: 4-phenylbutanoate; 2-phenylethanoate Openeye Name: 2-phenylacetate; 4-phenylbutanoate CAS Name: 2-phenylacetate; 4-phenylbutanoate IUPAC Name: 2-phenylacetate; 4-phenylbutanoate Traditional Name: 2-phenylacetate; 4-phenylbutyrate Formula: C18H18O4-2 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2.C8H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9;9-8(10)6-7-4-2-1-3-5-7/h1-3,5-6H,4,7-8H2,(H,11,12);1-5H,6H2,(H,9,10)/p-2