hexadecylphosphonic acid; 2-[hexadecyl(phosphono)amino]-3-oxidanyl-propanoic acid

Systemtic Name: hexadecylphosphonic acid; 2-[hexadecyl(phosphono)amino]-3-oxidanyl-propanoic acid Openeye Name: hexadecylphosphonic acid; 2-[hexadecyl(phosphono)amino]-3-hydroxy-propanoic acid CAS Name: hexadecylphosphonic acid; 2-[hexadecyl(phosphono)amino]-3-hydroxypropanoic acid IUPAC Name: hexadecylphosphonic acid; 2-[hexadecyl(phosphono)amino]-3-hydroxypropanoic acid Traditional Name: cetylphosphonic acid; 2-[cetyl(phosphono)amino]-3-hydroxy-propionic acid Formula: C35H75NO9P2 MolecularWeight: 715.918822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(CO)C(=O)O)P(=O)(O)O.CCCCCCCCCCCCCCCCP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(CO)C(=O)O)P(=O)(O)O.CCCCCCCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C19H40NO6P.C16H35O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(27(24,25)26)18(17-21)19(22)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h18,21H,2-17H2,1H3,(H,22,23)(H2,24,25,26);2-16H2,1H3,(H2,17,18,19)