(3-oxidanyl-3-phenoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate

Systemtic Name: (3-oxidanyl-3-phenoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate Openeye Name: (3-hydroxy-3-phenoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate CAS Name: 5-methyl-2-methylsulfonylbenzenesulfonic acid (3-hydroxy-3-phenoxypropyl) ester IUPAC Name: (3-hydroxy-3-phenoxypropyl) 5-methyl-2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesyl-5-methyl-benzenesulfonic acid (3-hydroxy-3-phenoxy-propyl) ester Formula: C17H20O7S2 MolecularWeight: 400.4665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)OCCC(O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)OCCC(O)OC2=CC=CC=C2

InChI

InChI=1S/C17H20O7S2/c1-13-8-9-15(25(2,19)20)16(12-13)26(21,22)23-11-10-17(18)24-14-6-4-3-5-7-14/h3-9,12,17-18H,10-11H2,1-2H3