fluoranylbenzene; [2-(4-methyl-2-oxidanyl-phenyl)-2,3-bis(oxidanyl)propyl] ethanoate; 2-methylpropanoate

Systemtic Name: fluoranylbenzene; [2-(4-methyl-2-oxidanyl-phenyl)-2,3-bis(oxidanyl)propyl] ethanoate; 2-methylpropanoate Openeye Name: [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] acetate; fluorobenzene; 2-methylpropanoate CAS Name: acetic acid [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] ester; fluorobenzene; 2-methylpropanoate IUPAC Name: [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] acetate; fluorobenzene; 2-methylpropanoate Traditional Name: acetic acid [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] ester; fluorobenzene; isobutyrate Formula: C22H28FO7- MolecularWeight: 423.451923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5.C6H5F.C4H8O2/c1-8-3-4-10(11(15)5-8)12(16,6-13)7-17-9(2)14;7-6-4-2-1-3-5-6;1-3(2)4(5)6/h3-5,13,15-16H,6-7H2,1-2H3;1-5H;3H,1-2H3,(H,5,6)/p-1