hexadecan-1-amine; 1-phosphonoethylphosphonic acid

Systemtic Name: hexadecan-1-amine; 1-phosphonoethylphosphonic acid Openeye Name: hexadecan-1-amine; 1-phosphonoethylphosphonic acid CAS Name: 1-hexadecanamine; 1-phosphonoethylphosphonic acid IUPAC Name: hexadecan-1-amine; 1-phosphonoethylphosphonic acid Traditional Name: cetylamine; 1-phosphonoethylphosphonic acid Formula: C18H43NO6P2 MolecularWeight: 431.484642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN.CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H35N.C2H8O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(9(3,4)5)10(6,7)8/h2-17H2,1H3;2H,1H3,(H2,3,4,5)(H2,6,7,8)