butanoic acid; decanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; octanoic acid

Systemtic Name: butanoic acid; decanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; octanoic acid Openeye Name: butyric acid; decanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; octanoic acid CAS Name: butanoic acid; decanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; octanoic acid IUPAC Name: butanoic acid; decanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; octanoic acid Traditional Name: butyric acid; capric acid; caprylic acid; 3-methylolpentane-1,5-diol Formula: C28H58O9 MolecularWeight: 538.75472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCC(=O)O.C(CO)C(CCO)CO

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCC(=O)O.C(CO)C(CCO)CO

InChI

InChI=1S/C10H20O2.C8H16O2.C6H14O3.C4H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;7-3-1-6(5-9)2-4-8;1-2-3-4(5)6/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-9H,1-5H2;2-3H2,1H3,(H,5,6)