2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid

Systemtic Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; 2-methylenebutanedioic acid; 2-methylprop-2-enoic acid CAS Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 2-methylenebutanedioic acid; 2-methyl-2-propenoic acid IUPAC Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 2-methylidenebutanedioic acid; 2-methylprop-2-enoic acid Traditional Name: itaconic acid; methacrylic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C14H24O9 MolecularWeight: 336.33496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O4.C5H12O3.C4H6O2/c1-3(5(8)9)2-4(6)7;1-5(2-6,3-7)4-8;1-3(2)4(5)6/h1-2H2,(H,6,7)(H,8,9);6-8H,2-4H2,1H3;1H2,2H3,(H,5,6)