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

Systemtic Name: [6-methyl-3,4,5-tris(oxidanyl)thian-2-yl] (phenylmethyl) hydrogen phosphate Openeye Name: benzyl (3,4,5-trihydroxy-6-methyl-tetrahydrothiopyran-2-yl) hydrogen phosphate CAS Name: (phenylmethyl) (3,4,5-trihydroxy-6-methyl-2-thianyl) hydrogen phosphate IUPAC Name: benzyl (3,4,5-trihydroxy-6-methylthian-2-yl) hydrogen phosphate Traditional Name: benzyl (3,4,5-trihydroxy-6-methyl-tetrahydrothiopyran-2-yl) hydrogen phosphate Formula: C13H19O7PS MolecularWeight: 350.324521

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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

Isomeric SMILES

CC1C(C(C(C(S1)OP(=O)(O)OCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C13H19O7PS/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)