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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanedioic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanedioic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanedioic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanedioic acid Traditional Name: azelaic acid; 2,2-dimethylolpropane-1,3-diol; enanthic acid Formula: C21H42O10 MolecularWeight: 454.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C9H16O4.C7H14O2.C5H12O4/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9/h1-7H2,(H,10,11)(H,12,13);2-6H2,1H3,(H,8,9);6-9H,1-4H2