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

Systemtic Name: [2-(4-methyl-2-oxidanyl-phenyl)-2,3-bis(oxidanyl)propyl] 2-methylpropanoate; 2-methylpropanoate Openeye Name: [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] 2-methylpropanoate; 2-methylpropanoate CAS Name: 2-methylpropanoate; 2-methylpropanoic acid [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] ester IUPAC Name: [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] 2-methylpropanoate; 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] ester isobutyrate Formula: C18H27O7- MolecularWeight: 355.40278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5.C4H8O2/c1-9(2)13(17)19-8-14(18,7-15)11-5-4-10(3)6-12(11)16;1-3(2)4(5)6/h4-6,9,15-16,18H,7-8H2,1-3H3;3H,1-2H3,(H,5,6)/p-1