sodium hexadecyl 2,3,4,5,6-pentakis(oxidanyl)hexyl phosphate

Systemtic Name: sodium hexadecyl 2,3,4,5,6-pentakis(oxidanyl)hexyl phosphate Openeye Name: sodium hexadecyl 2,3,4,5,6-pentahydroxyhexyl phosphate CAS Name: sodium hexadecyl 2,3,4,5,6-pentahydroxyhexyl phosphate IUPAC Name: sodium hexadecyl 2,3,4,5,6-pentahydroxyhexyl phosphate Traditional Name: sodium cetyl 2,3,4,5,6-pentahydroxyhexyl phosphate Formula: C22H46NaO9P MolecularWeight: 508.558771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC(C(C(C(CO)O)O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC(C(C(C(CO)O)O)O)O.[Na+]

InChI

InChI=1S/C22H47O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-32(28,29)31-18-20(25)22(27)21(26)19(24)17-23;/h19-27H,2-18H2,1H3,(H,28,29);/q;+1/p-1