2-methylpropanoate; [2,2,4-trimethyl-1,3-bis(oxidanyl)pentyl] benzoate

Systemtic Name: 2-methylpropanoate; [2,2,4-trimethyl-1,3-bis(oxidanyl)pentyl] benzoate Openeye Name: (1,3-dihydroxy-2,2,4-trimethyl-pentyl) benzoate; 2-methylpropanoate CAS Name: benzoic acid (1,3-dihydroxy-2,2,4-trimethylpentyl) ester; 2-methylpropanoate IUPAC Name: (1,3-dihydroxy-2,2,4-trimethylpentyl) benzoate; 2-methylpropanoate Traditional Name: benzoic acid (1,3-dihydroxy-2,2,4-trimethyl-pentyl) ester isobutyrate Formula: C19H29O6- MolecularWeight: 353.42996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)C(O)OC(=O)C1=CC=CC=C1)O.CC(C)C(=O)[O-]

Isomeric SMILES

CC(C)C(C(C)(C)C(O)OC(=O)C1=CC=CC=C1)O.CC(C)C(=O)[O-]

InChI

InChI=1S/C15H22O4.C4H8O2/c1-10(2)12(16)15(3,4)14(18)19-13(17)11-8-6-5-7-9-11;1-3(2)4(5)6/h5-10,12,14,16,18H,1-4H3;3H,1-2H3,(H,5,6)/p-1