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

Systemtic Name: fluoranylbenzene; [2-(4-methyl-2-oxidanyl-phenyl)oxiran-2-yl]methyl ethanoate; 2-methylpropanoate Openeye Name: fluorobenzene; [2-(2-hydroxy-4-methyl-phenyl)oxiran-2-yl]methyl acetate; 2-methylpropanoate CAS Name: acetic acid [2-(2-hydroxy-4-methylphenyl)-2-oxiranyl]methyl ester; fluorobenzene; 2-methylpropanoate IUPAC Name: fluorobenzene; [2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl acetate; 2-methylpropanoate Traditional Name: acetic acid [2-(2-hydroxy-4-methyl-phenyl)oxiran-2-yl]methyl ester; fluorobenzene; isobutyrate Formula: C22H26FO6- MolecularWeight: 405.436643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4.C6H5F.C4H8O2/c1-8-3-4-10(11(14)5-8)12(7-16-12)6-15-9(2)13;7-6-4-2-1-3-5-6;1-3(2)4(5)6/h3-5,14H,6-7H2,1-2H3;1-5H;3H,1-2H3,(H,5,6)/p-1