2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine

Systemtic Name: 2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine Openeye Name: 2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine CAS Name: 2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine IUPAC Name: 2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine Traditional Name: 2-ethylhexanoic acid; 2,2,4,6,6-pentamethylpiperidine Formula: C18H37NO2 MolecularWeight: 299.49188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CC1CC(NC(C1)(C)C)(C)C

Isomeric SMILES

CCCCC(CC)C(=O)O.CC1CC(NC(C1)(C)C)(C)C

InChI

InChI=1S/C10H21N.C8H16O2/c1-8-6-9(2,3)11-10(4,5)7-8;1-3-5-6-7(4-2)8(9)10/h8,11H,6-7H2,1-5H3;7H,3-6H2,1-2H3,(H,9,10)