butanoic acid; 2-methylheptan-2-ol

Systemtic Name: butanoic acid; 2-methylheptan-2-ol Openeye Name: butyric acid; 2-methylheptan-2-ol CAS Name: butanoic acid; 2-methyl-2-heptanol IUPAC Name: butanoic acid; 2-methylheptan-2-ol Traditional Name: butyric acid; 2-methylheptan-2-ol Formula: C20H42O7 MolecularWeight: 394.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O

Isomeric SMILES

CCCCCC(C)(C)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O

InChI

InChI=1S/C8H18O.3C4H8O2/c1-4-5-6-7-8(2,3)9;3*1-2-3-4(5)6/h9H,4-7H2,1-3H3;3*2-3H2,1H3,(H,5,6)