butan-2-one; ethanoic acid; 2,2,4-trimethylpentane

Systemtic Name: butan-2-one; ethanoic acid; 2,2,4-trimethylpentane Openeye Name: acetic acid; butan-2-one; 2,2,4-trimethylpentane CAS Name: acetic acid; 2-butanone; 2,2,4-trimethylpentane IUPAC Name: acetic acid; butan-2-one; 2,2,4-trimethylpentane Traditional Name: acetic acid; butan-2-one; 2,2,4-trimethylpentane Formula: C14H30O3 MolecularWeight: 246.3862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18.C4H8O.C2H4O2/c1-7(2)6-8(3,4)5;1-3-4(2)5;1-2(3)4/h7H,6H2,1-5H3;3H2,1-2H3;1H3,(H,3,4)