2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid; oxepan-2-one

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid; oxepan-2-one Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid; oxepan-2-one CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid; 2-oxepanone IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonanedioic acid; oxepan-2-one Traditional Name: azelaic acid; 2-ethyl-2-methylol-propane-1,3-diol; oxepan-2-one Formula: C21H40O9 MolecularWeight: 436.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1CCC(=O)OCC1.C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.C1CCC(=O)OCC1.C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C9H16O4.C6H14O3.C6H10O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-8-6/h1-7H2,(H,10,11)(H,12,13);7-9H,2-5H2,1H3;1-5H2