1-[bis(2-oxidanylpropyl)amino]propan-2-ol; henicosanoic acid

Systemtic Name: 1-[bis(2-oxidanylpropyl)amino]propan-2-ol; henicosanoic acid Openeye Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; henicosanoic acid CAS Name: 1-[bis(2-hydroxypropyl)amino]-2-propanol; heneicosanoic acid IUPAC Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; henicosanoic acid Traditional Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; heneicosanoic acid Formula: C72H147NO9 MolecularWeight: 1170.93888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCC(=O)O.CC(CN(CC(C)O)CC(C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCC(=O)O.CC(CN(CC(C)O)CC(C)O)O

InChI

InChI=1S/3C21H42O2.C9H21NO3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23;1-7(11)4-10(5-8(2)12)6-9(3)13/h3*2-20H2,1H3,(H,22,23);7-9,11-13H,4-6H2,1-3H3