[2,3,4-tris(2-azanylpropan-2-yl)phenyl] octadecanoate

Systemtic Name: [2,3,4-tris(2-azanylpropan-2-yl)phenyl] octadecanoate Openeye Name: [2,3,4-tris(1-amino-1-methyl-ethyl)phenyl] octadecanoate CAS Name: octadecanoic acid [2,3,4-tris(2-aminopropan-2-yl)phenyl] ester IUPAC Name: [2,3,4-tris(2-aminopropan-2-yl)phenyl] octadecanoate Traditional Name: stearic acid [2,3,4-tris(1-amino-1-methyl-ethyl)phenyl] ester Formula: C33H61N3O2 MolecularWeight: 531.85634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(C)(C)N)C(C)(C)N)C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(C)(C)N)C(C)(C)N)C(C)(C)N

InChI

InChI=1S/C33H61N3O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(37)38-27-25-24-26(31(2,3)34)29(32(4,5)35)30(27)33(6,7)36/h24-25H,8-23,34-36H2,1-7H3