2-ethylhexanoic acid; 2,4,6-tris(2-azanylpropan-2-yl)phenol

Systemtic Name: 2-ethylhexanoic acid; 2,4,6-tris(2-azanylpropan-2-yl)phenol Openeye Name: 2-ethylhexanoic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol CAS Name: 2-ethylhexanoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol IUPAC Name: 2-ethylhexanoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol Traditional Name: 2-ethylhexanoic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol Formula: C23H43N3O3 MolecularWeight: 409.60582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)O)C(C)(C)N)N

Isomeric SMILES

CCCCC(CC)C(=O)O.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)O)C(C)(C)N)N

InChI

InChI=1S/C15H27N3O.C8H16O2/c1-13(2,16)9-7-10(14(3,4)17)12(19)11(8-9)15(5,6)18;1-3-5-6-7(4-2)8(9)10/h7-8,19H,16-18H2,1-6H3;7H,3-6H2,1-2H3,(H,9,10)