decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexanoic acid; octanoic acid

Systemtic Name: decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexanoic acid; octanoic acid Openeye Name: adipic acid; decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanoic acid; octanoic acid CAS Name: decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexanoic acid; octanoic acid IUPAC Name: decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexanoic acid; octanoic acid Traditional Name: adipic acid; capric acid; caprylic acid; 2-ethyl-2-methylol-propane-1,3-diol; hexanoic acid Formula: C36H72O13 MolecularWeight: 712.94908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCC(=O)O.CCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCC(=O)O.CCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C10H20O2.C8H16O2.C6H10O4.C6H14O3.C6H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-2-3-4-5-6(7)8/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;2-5H2,1H3,(H,7,8)