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

Systemtic Name: 2-ethylheptanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Openeye Name: 2-ethylheptanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol CAS Name: 2-ethylheptanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol IUPAC Name: 2-ethylheptanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Traditional Name: 2-ethylenanthic acid; 2,4,6-tris(dimethylaminomethyl)phenol Formula: C42H81N3O7 MolecularWeight: 740.10844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O.3C9H18O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*1-3-5-6-7-8(4-2)9(10)11/h7-8,19H,9-11H2,1-6H3;3*8H,3-7H2,1-2H3,(H,10,11)