heptanoic acid; 3,5,5-trimethylhexanoic acid

Systemtic Name: heptanoic acid; 3,5,5-trimethylhexanoic acid Openeye Name: heptanoic acid; 3,5,5-trimethylhexanoic acid CAS Name: heptanoic acid; 3,5,5-trimethylhexanoic acid IUPAC Name: heptanoic acid; 3,5,5-trimethylhexanoic acid Traditional Name: enanthic acid; 3,5,5-trimethylhexanoic acid Formula: C16H32O4 MolecularWeight: 288.42288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C7H14O2/c1-7(5-8(10)11)6-9(2,3)4;1-2-3-4-5-6-7(8)9/h7H,5-6H2,1-4H3,(H,10,11);2-6H2,1H3,(H,8,9)