2,2-bis(hydroxymethyl)propane-1,3-diol; 2-methylidenebutanedioic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-methylidenebutanedioic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-methylenebutanedioic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-methylenebutanedioic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-methylidenebutanedioic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; itaconic acid Formula: C35H54O28 MolecularWeight: 922.78646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H12O4.5C5H6O4/c2*6-1-5(2-7,3-8)4-9;5*1-3(5(8)9)2-4(6)7/h2*6-9H,1-4H2;5*1-2H2,(H,6,7)(H,8,9)