1-butoxybutane; 3-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanoic acid

Systemtic Name: 1-butoxybutane; 3-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanoic acid Openeye Name: 1-butoxybutane; 3-[2-(2-hydroxy-2-phenyl-acetyl)phenyl]propanoic acid CAS Name: 1-butoxybutane; 3-[2-(2-hydroxy-1-oxo-2-phenylethyl)phenyl]propanoic acid IUPAC Name: 1-butoxybutane; 3-[2-(2-hydroxy-2-phenylacetyl)phenyl]propanoic acid Traditional Name: 1-butoxybutane; 3-(2-mandeloylphenyl)propionic acid Formula: C25H34O5 MolecularWeight: 414.53446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CCC(=O)O)O

Isomeric SMILES

CCCCOCCCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CCC(=O)O)O

InChI

InChI=1S/C17H16O4.C8H18O/c18-15(19)11-10-12-6-4-5-9-14(12)17(21)16(20)13-7-2-1-3-8-13;1-3-5-7-9-8-6-4-2/h1-9,16,20H,10-11H2,(H,18,19);3-8H2,1-2H3