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

Systemtic Name: sodium [22-methyl-1,3,4,5,6-pentakis(oxidanyl)tricosan-2-yl] sulfate Openeye Name: sodium [2,3,4,5-tetrahydroxy-1-(hydroxymethyl)-21-methyl-docosyl] sulfate CAS Name: sodium (1,3,4,5,6-pentahydroxy-22-methyltricosan-2-yl) sulfate IUPAC Name: sodium (1,3,4,5,6-pentahydroxy-22-methyltricosan-2-yl) sulfate Traditional Name: sodium (2,3,4,5-tetrahydroxy-21-methyl-1-methylol-docosyl) sulfate Formula: C24H49NaO9S MolecularWeight: 536.69523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50O9S.Na/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,(H,30,31,32);/q;+1/p-1