2-hydroxyethyl 3-[3-ethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate

Systemtic Name: 2-hydroxyethyl 3-[3-ethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Openeye Name: 2-hydroxyethyl 3-[3-ethyl-4-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]propanoate CAS Name: 3-[3-ethyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-[3-ethyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Traditional Name: 3-[3-ethyl-4-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid 2-hydroxyethyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CCC(=O)OCCO)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)CCC(=O)OCCO)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C21H34O4/c1-7-16-12-15(8-9-18(23)25-11-10-22)13-17(19(16)24)21(5,6)14-20(2,3)4/h12-13,22,24H,7-11,14H2,1-6H3