7-methyloctanoic acid; 1-(2-oxidanylpropylamino)propan-2-ol

Systemtic Name: 7-methyloctanoic acid; 1-(2-oxidanylpropylamino)propan-2-ol Openeye Name: 1-(2-hydroxypropylamino)propan-2-ol; 7-methyloctanoic acid CAS Name: 1-(2-hydroxypropylamino)-2-propanol; 7-methyloctanoic acid IUPAC Name: 1-(2-hydroxypropylamino)propan-2-ol; 7-methyloctanoic acid Traditional Name: 1-(2-hydroxypropylamino)propan-2-ol; 7-methylcaprylic acid Formula: C15H33NO4 MolecularWeight: 291.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)O.CC(CNCC(C)O)O

Isomeric SMILES

CC(C)CCCCCC(=O)O.CC(CNCC(C)O)O

InChI

InChI=1S/C9H18O2.C6H15NO2/c1-8(2)6-4-3-5-7-9(10)11;1-5(8)3-7-4-6(2)9/h8H,3-7H2,1-2H3,(H,10,11);5-9H,3-4H2,1-2H3