3-azanyl-3-heptadecyl-pentane-1,5-diol; octadecanoic acid

Systemtic Name: 3-azanyl-3-heptadecyl-pentane-1,5-diol; octadecanoic acid Openeye Name: 3-amino-3-heptadecyl-pentane-1,5-diol; stearic acid CAS Name: 3-amino-3-heptadecylpentane-1,5-diol; octadecanoic acid IUPAC Name: 3-amino-3-heptadecylpentane-1,5-diol; octadecanoic acid Traditional Name: 3-amino-3-heptadecyl-pentane-1,5-diol; stearic acid Formula: C40H83NO4 MolecularWeight: 642.09132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(CCO)(CCO)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(CCO)(CCO)N

InChI

InChI=1S/C22H47NO2.C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23,18-20-24)19-21-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h24-25H,2-21,23H2,1H3;2-17H2,1H3,(H,19,20)