disodium [22-methyl-1,3,4,5,6-pentakis(oxidanyl)tricosan-2-yl] phosphate

Systemtic Name: disodium [22-methyl-1,3,4,5,6-pentakis(oxidanyl)tricosan-2-yl] phosphate Openeye Name: disodium [2,3,4,5-tetrahydroxy-1-(hydroxymethyl)-21-methyl-docosyl] phosphate CAS Name: disodium (1,3,4,5,6-pentahydroxy-22-methyltricosan-2-yl) phosphate IUPAC Name: disodium (1,3,4,5,6-pentahydroxy-22-methyltricosan-2-yl) phosphate Traditional Name: disodium (2,3,4,5-tetrahydroxy-21-methyl-1-methylol-docosyl) phosphate Formula: C24H49Na2O9P MolecularWeight: 558.593761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(C(C(C(C(CO)OP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(C(C(C(C(CO)OP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]

InChI

InChI=1S/C24H51O9P.2Na/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(26)22(27)24(29)23(28)21(18-25)33-34(30,31)32;;/h19-29H,3-18H2,1-2H3,(H2,30,31,32);;/q;2*+1/p-2