[2,3-bis(oxidanyl)-1-phenoxy-propyl] 5-methyl-2-methylsulfonyl-benzenesulfonate

Systemtic Name: [2,3-bis(oxidanyl)-1-phenoxy-propyl] 5-methyl-2-methylsulfonyl-benzenesulfonate Openeye Name: (2,3-dihydroxy-1-phenoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate CAS Name: 5-methyl-2-methylsulfonylbenzenesulfonic acid (2,3-dihydroxy-1-phenoxypropyl) ester IUPAC Name: (2,3-dihydroxy-1-phenoxypropyl) 5-methyl-2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesyl-5-methyl-benzenesulfonic acid (2,3-dihydroxy-1-phenoxy-propyl) ester Formula: C17H20O8S2 MolecularWeight: 416.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)OC(C(CO)O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)OC(C(CO)O)OC2=CC=CC=C2

InChI

InChI=1S/C17H20O8S2/c1-12-8-9-15(26(2,20)21)16(10-12)27(22,23)25-17(14(19)11-18)24-13-6-4-3-5-7-13/h3-10,14,17-19H,11H2,1-2H3