2-(hexylamino)-6-oxidanylidene-hexanoic acid; 2-(octan-3-ylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-(hexylamino)-6-oxidanylidene-hexanoic acid; 2-(octan-3-ylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 2-(1-ethylhexylamino)-6-oxo-hexanoic acid; 2-(hexylamino)-6-oxo-hexanoic acid CAS Name: 2-(hexylamino)-6-oxohexanoic acid; 2-(octan-3-ylamino)-6-oxohexanoic acid IUPAC Name: 2-(hexylamino)-6-oxohexanoic acid; 2-(octan-3-ylamino)-6-oxohexanoic acid Traditional Name: 2-(1-ethylhexylamino)-6-keto-hexanoic acid; 2-(hexylamino)-6-keto-hexanoic acid Formula: C26H50N2O6 MolecularWeight: 486.685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CCCC=O)C(=O)O.CCCCCC(CC)NC(CCCC=O)C(=O)O

Isomeric SMILES

CCCCCCNC(CCCC=O)C(=O)O.CCCCCC(CC)NC(CCCC=O)C(=O)O

InChI

InChI=1S/C14H27NO3.C12H23NO3/c1-3-5-6-9-12(4-2)15-13(14(17)18)10-7-8-11-16;1-2-3-4-6-9-13-11(12(15)16)8-5-7-10-14/h11-13,15H,3-10H2,1-2H3,(H,17,18);10-11,13H,2-9H2,1H3,(H,15,16)