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

Systemtic Name: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Openeye Name: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol CAS Name: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol IUPAC Name: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Traditional Name: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Formula: C39H75N3O7 MolecularWeight: 698.0287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C

Isomeric SMILES

CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C

InChI

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