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

Systemtic Name: octadecanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Openeye Name: stearic acid; 2,4,6-tris(dimethylaminomethyl)phenol CAS Name: octadecanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol IUPAC Name: octadecanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol Traditional Name: stearic acid; 2,4,6-tris(dimethylaminomethyl)phenol Formula: C69H135N3O7 MolecularWeight: 1118.8261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O2.C15H27N3O/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h3*2-17H2,1H3,(H,19,20);7-8,19H,9-11H2,1-6H3