[2,3,4-tris(2-azanylpropan-2-yl)phenyl] (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: [2,3,4-tris(2-azanylpropan-2-yl)phenyl] (9E,12E)-octadeca-9,12-dienoate Openeye Name: [2,3,4-tris(1-amino-1-methyl-ethyl)phenyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [2,3,4-tris(2-aminopropan-2-yl)phenyl] ester IUPAC Name: [2,3,4-tris(2-aminopropan-2-yl)phenyl] (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [2,3,4-tris(1-amino-1-methyl-ethyl)phenyl] ester Formula: C33H57N3O2 MolecularWeight: 527.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(C)(C)N)C(C)(C)N)C(C)(C)N

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC1=C(C(=C(C=C1)C(C)(C)N)C(C)(C)N)C(C)(C)N

InChI

InChI=1S/C33H57N3O2/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/h12-13,15-16,24-25H,8-11,14,17-23,34-36H2,1-7H3/b13-12+,16-15+