2-phenylbutanoate; 2-phenylpropanoate

Systemtic Name: 2-phenylbutanoate; 2-phenylpropanoate Openeye Name: 2-phenylbutanoate; 2-phenylpropanoate CAS Name: 2-phenylbutanoate; 2-phenylpropanoate IUPAC Name: 2-phenylbutanoate; 2-phenylpropanoate Traditional Name: 2-phenylbutyrate; 2-phenylpropionate Formula: C19H20O4-2 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2.C9H10O2/c1-2-9(10(11)12)8-6-4-3-5-7-8;1-7(9(10)11)8-5-3-2-4-6-8/h3-7,9H,2H2,1H3,(H,11,12);2-7H,1H3,(H,10,11)/p-2