heptan-4-yl 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: heptan-4-yl 2-oxidanyl-2-phenyl-ethanoate Openeye Name: 1-propylbutyl 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid heptan-4-yl ester IUPAC Name: heptan-4-yl 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid 1-propylbutyl ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CCCC(CCC)OC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C15H22O3/c1-3-8-13(9-4-2)18-15(17)14(16)12-10-6-5-7-11-12/h5-7,10-11,13-14,16H,3-4,8-9H2,1-2H3