decanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methylprop-2-enoic acid

Systemtic Name: decanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methylprop-2-enoic acid Openeye Name: decanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methylprop-2-enoic acid CAS Name: decanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyl-2-propenoic acid IUPAC Name: decanedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methylprop-2-enoic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; methacrylic acid; sebacic acid Formula: C20H38O9 MolecularWeight: 422.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(=C)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CC(=C)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C10H18O4.C6H14O3.C4H6O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-6(3-7,4-8)5-9;1-3(2)4(5)6/h1-8H2,(H,11,12)(H,13,14);7-9H,2-5H2,1H3;1H2,2H3,(H,5,6)