(Z)-octadec-9-enoic acid; 2,4,6-tris(2-azanylpropan-2-yl)phenol

Systemtic Name: (Z)-octadec-9-enoic acid; 2,4,6-tris(2-azanylpropan-2-yl)phenol Openeye Name: (Z)-octadec-9-enoic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol CAS Name: (Z)-9-octadecenoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol IUPAC Name: (Z)-octadec-9-enoic acid; 2,4,6-tris(2-aminopropan-2-yl)phenol Traditional Name: oleic acid; 2,4,6-tris(1-amino-1-methyl-ethyl)phenol Formula: C69H129N3O7 MolecularWeight: 1112.77846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(N)(C1=CC(=C(C(=C1)C(N)(C)C)O)C(N)(C)C)C

InChI

InChI=1S/3C18H34O2.C15H27N3O/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-13(2,16)9-7-10(14(3,4)17)12(19)11(8-9)15(5,6)18/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);7-8,19H,16-18H2,1-6H3/b3*10-9-;