sodium [6-methyl-3,4,5-tris(oxidanyl)thian-2-yl] (phenylmethyl) phosphate

Systemtic Name: sodium [6-methyl-3,4,5-tris(oxidanyl)thian-2-yl] (phenylmethyl) phosphate Openeye Name: sodium benzyl (3,4,5-trihydroxy-6-methyl-tetrahydrothiopyran-2-yl) phosphate CAS Name: sodium (phenylmethyl) (3,4,5-trihydroxy-6-methyl-2-thianyl) phosphate IUPAC Name: sodium benzyl (3,4,5-trihydroxy-6-methylthian-2-yl) phosphate Traditional Name: sodium benzyl (3,4,5-trihydroxy-6-methyl-tetrahydrothiopyran-2-yl) phosphate Formula: C13H18NaO7PS MolecularWeight: 372.306351

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(S1)OP(=O)([O-])OCC2=CC=CC=C2)O)O)O.[Na+]

Isomeric SMILES

CC1C(C(C(C(S1)OP(=O)([O-])OCC2=CC=CC=C2)O)O)O.[Na+]

InChI

InChI=1S/C13H19O7PS.Na/c1-8-10(14)11(15)12(16)13(22-8)20-21(17,18)19-7-9-5-3-2-4-6-9;/h2-6,8,10-16H,7H2,1H3,(H,17,18);/q;+1/p-1