2-chloranylethane-1,1-diol; [5-(4-methylphenyl)sulfonyloxy-1,3,4,6-tetrakis(oxidanyl)hexan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: 2-chloranylethane-1,1-diol; [5-(4-methylphenyl)sulfonyloxy-1,3,4,6-tetrakis(oxidanyl)hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: 2-chloroethane-1,1-diol; [2,3,5-trihydroxy-1-(hydroxymethyl)-4-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 2-chloroethane-1,1-diol; 4-methylbenzenesulfonic acid [1,3,4,6-tetrahydroxy-5-(4-methylphenyl)sulfonyloxyhexan-2-yl] ester IUPAC Name: 2-chloroethane-1,1-diol; [1,3,4,6-tetrahydroxy-5-(4-methylphenyl)sulfonyloxyhexan-2-yl] 4-methylbenzenesulfonate Traditional Name: 2-chloroethane-1,1-diol; 4-methylbenzenesulfonic acid (2,3,5-trihydroxy-1-methylol-4-tosyloxy-pentyl) ester Formula: C22H31ClO12S2 MolecularWeight: 587.05734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)C(C(C(CO)OS(=O)(=O)C2=CC=C(C=C2)C)O)O.C(C(O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)C(C(C(CO)OS(=O)(=O)C2=CC=C(C=C2)C)O)O.C(C(O)O)Cl

InChI

InChI=1S/C20H26O10S2.C2H5ClO2/c1-13-3-7-15(8-4-13)31(25,26)29-17(11-21)19(23)20(24)18(12-22)30-32(27,28)16-9-5-14(2)6-10-16;3-1-2(4)5/h3-10,17-24H,11-12H2,1-2H3;2,4-5H,1H2