[2-(4-methyl-2-oxidanyl-phenyl)oxiran-2-yl]methyl 2-methylpropanoate; 2-methylpropanoate

Systemtic Name: [2-(4-methyl-2-oxidanyl-phenyl)oxiran-2-yl]methyl 2-methylpropanoate; 2-methylpropanoate Openeye Name: [2-(2-hydroxy-4-methyl-phenyl)oxiran-2-yl]methyl 2-methylpropanoate; 2-methylpropanoate CAS Name: 2-methylpropanoate; 2-methylpropanoic acid [2-(2-hydroxy-4-methylphenyl)-2-oxiranyl]methyl ester IUPAC Name: [2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl 2-methylpropanoate; 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(2-hydroxy-4-methyl-phenyl)oxiran-2-yl]methyl ester isobutyrate Formula: C18H25O6- MolecularWeight: 337.3875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)O.CC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)O.CC(C)C(=O)[O-]

InChI

InChI=1S/C14H18O4.C4H8O2/c1-9(2)13(16)17-7-14(8-18-14)11-5-4-10(3)6-12(11)15;1-3(2)4(5)6/h4-6,9,15H,7-8H2,1-3H3;3H,1-2H3,(H,5,6)/p-1