butanoic acid; 4-methylpentanoate; pentanoic acid

Systemtic Name: butanoic acid; 4-methylpentanoate; pentanoic acid Openeye Name: butyric acid; 4-methylpentanoate; pentanoic acid CAS Name: butanoic acid; 4-methylpentanoate; pentanoic acid IUPAC Name: butanoic acid; 4-methylpentanoate; pentanoic acid Traditional Name: butyric acid; 4-methylvalerate; valeric acid Formula: C15H29O6- MolecularWeight: 305.38716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)O.CCCC(=O)O.CC(C)CCC(=O)[O-]

Isomeric SMILES

CCCCC(=O)O.CCCC(=O)O.CC(C)CCC(=O)[O-]

InChI

InChI=1S/C6H12O2.C5H10O2.C4H8O2/c1-5(2)3-4-6(7)8;1-2-3-4-5(6)7;1-2-3-4(5)6/h5H,3-4H2,1-2H3,(H,7,8);2-4H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6)/p-1