2-ethylbutanoic acid; heptanoic acid; 4-methylpentanoic acid

Systemtic Name: 2-ethylbutanoic acid; heptanoic acid; 4-methylpentanoic acid Openeye Name: 2-ethylbutanoic acid; heptanoic acid; 4-methylpentanoic acid CAS Name: 2-ethylbutanoic acid; heptanoic acid; 4-methylpentanoic acid IUPAC Name: 2-ethylbutanoic acid; heptanoic acid; 4-methylpentanoic acid Traditional Name: enanthic acid; 2-ethylbutyric acid; 4-methylvaleric acid Formula: C19H38O6 MolecularWeight: 362.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCC(CC)C(=O)O.CC(C)CCC(=O)O

Isomeric SMILES

CCCCCCC(=O)O.CCC(CC)C(=O)O.CC(C)CCC(=O)O

InChI

InChI=1S/C7H14O2.2C6H12O2/c1-2-3-4-5-6-7(8)9;1-5(2)3-4-6(7)8;1-3-5(4-2)6(7)8/h2-6H2,1H3,(H,8,9);2*5H,3-4H2,1-2H3,(H,7,8)