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

Systemtic Name: octadecanoic acid; 2,4,6-tris(2-azanylpropan-2-yl)phenol Openeye Name: stearic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol CAS Name: octadecanoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol IUPAC Name: octadecanoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol Traditional Name: stearic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol Formula: C33H63N3O3 MolecularWeight: 549.87162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C15H27N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-13(2,16)9-7-10(14(3,4)17)12(19)11(8-9)15(5,6)18/h2-17H2,1H3,(H,19,20);7-8,19H,16-18H2,1-6H3