2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid

Systemtic Name: 2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid Openeye Name: 2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid CAS Name: 2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid IUPAC Name: 2-ethylhexanoic acid; 3-(hydroxymethyl)pentane-1,5-diol; pentanoic acid Traditional Name: 2-ethylhexanoic acid; 3-methylolpentane-1,5-diol; valeric acid Formula: C19H40O7 MolecularWeight: 380.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CCCCC(=O)O.C(CO)C(CCO)CO

Isomeric SMILES

CCCCC(CC)C(=O)O.CCCCC(=O)O.C(CO)C(CCO)CO

InChI

InChI=1S/C8H16O2.C6H14O3.C5H10O2/c1-3-5-6-7(4-2)8(9)10;7-3-1-6(5-9)2-4-8;1-2-3-4-5(6)7/h7H,3-6H2,1-2H3,(H,9,10);6-9H,1-5H2;2-4H2,1H3,(H,6,7)