2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-(4-isobutylphenyl)propanoic acid CAS Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(4-isobutylphenyl)propionic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C18H30O5 MolecularWeight: 326.4278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CC(CO)(CO)CO

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CC(CO)(CO)CO

InChI

InChI=1S/C13H18O2.C5H12O3/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-5(2-6,3-7)4-8/h4-7,9-10H,8H2,1-3H3,(H,14,15);6-8H,2-4H2,1H3