hexane; methyl 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: hexane; methyl 2-oxidanyl-2-phenyl-ethanoate Openeye Name: hexane; methyl 2-hydroxy-2-phenyl-acetate CAS Name: hexane; 2-hydroxy-2-phenylacetic acid methyl ester IUPAC Name: hexane; methyl 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid methyl ester; n-hexane Formula: C15H24O3 MolecularWeight: 252.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.COC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC.COC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C9H10O3.C6H14/c1-12-9(11)8(10)7-5-3-2-4-6-7;1-3-5-6-4-2/h2-6,8,10H,1H3;3-6H2,1-2H3