pentyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate

Systemtic Name: pentyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate Openeye Name: pentyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate CAS Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid pentyl ester IUPAC Name: pentyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-valeric acid amyl ester Formula: C20H32O3 MolecularWeight: 320.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCCCOC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C20H32O3/c1-6-7-8-13-23-19(21)20(4,5)12-9-14-22-18-15-16(2)10-11-17(18)3/h10-11,15H,6-9,12-14H2,1-5H3