furan-2,5-dione; nonanedioic acid; propane-1,2-diol

Systemtic Name: furan-2,5-dione; nonanedioic acid; propane-1,2-diol Openeye Name: furan-2,5-dione; nonanedioic acid; propane-1,2-diol CAS Name: furan-2,5-dione; nonanedioic acid; propane-1,2-diol IUPAC Name: furan-2,5-dione; nonanedioic acid; propane-1,2-diol Traditional Name: azelaic acid; furan-2,5-quinone; propane-1,2-diol Formula: C16H26O9 MolecularWeight: 362.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC(=O)OC1=O.C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CC(CO)O.C1=CC(=O)OC1=O.C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C9H16O4.C4H2O3.C3H8O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-7H2,(H,10,11)(H,12,13);1-2H;3-5H,2H2,1H3