[3-(3-cyano-3-oxidanyl-butyl)-2,5,6-trimethyl-4-oxidanyl-phenyl] ethanoate

Systemtic Name: [3-(3-cyano-3-oxidanyl-butyl)-2,5,6-trimethyl-4-oxidanyl-phenyl] ethanoate Openeye Name: [3-(3-cyano-3-hydroxy-butyl)-4-hydroxy-2,5,6-trimethyl-phenyl] acetate CAS Name: acetic acid [3-(3-cyano-3-hydroxybutyl)-4-hydroxy-2,5,6-trimethylphenyl] ester IUPAC Name: [3-(3-cyano-3-hydroxybutyl)-4-hydroxy-2,5,6-trimethylphenyl] acetate Traditional Name: acetic acid [3-(3-cyano-3-hydroxy-butyl)-4-hydroxy-2,5,6-trimethyl-phenyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)CCC(C)(C#N)O)C)OC(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)CCC(C)(C#N)O)C)OC(=O)C)C

InChI

InChI=1S/C16H21NO4/c1-9-10(2)15(21-12(4)18)11(3)13(14(9)19)6-7-16(5,20)8-17/h19-20H,6-7H2,1-5H3