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

Systemtic Name: [3-(3-cyano-3-oxidanyl-propyl)-2,5,6-trimethyl-4-oxidanyl-phenyl] ethanoate Openeye Name: [3-(3-cyano-3-hydroxy-propyl)-4-hydroxy-2,5,6-trimethyl-phenyl] acetate CAS Name: acetic acid [3-(3-cyano-3-hydroxypropyl)-4-hydroxy-2,5,6-trimethylphenyl] ester IUPAC Name: [3-(3-cyano-3-hydroxypropyl)-4-hydroxy-2,5,6-trimethylphenyl] acetate Traditional Name: acetic acid [3-(3-cyano-3-hydroxy-propyl)-4-hydroxy-2,5,6-trimethyl-phenyl] ester Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-8-9(2)15(20-11(4)17)10(3)13(14(8)19)6-5-12(18)7-16/h12,18-19H,5-6H2,1-4H3