(3-oxidanyl-1-phenoxy-2-phenylmethoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate

Systemtic Name: (3-oxidanyl-1-phenoxy-2-phenylmethoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate Openeye Name: (2-benzyloxy-3-hydroxy-1-phenoxy-propyl) 5-methyl-2-methylsulfonyl-benzenesulfonate CAS Name: 5-methyl-2-methylsulfonylbenzenesulfonic acid (3-hydroxy-1-phenoxy-2-phenylmethoxypropyl) ester IUPAC Name: (3-hydroxy-1-phenoxy-2-phenylmethoxypropyl) 5-methyl-2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesyl-5-methyl-benzenesulfonic acid (2-benzoxy-3-hydroxy-1-phenoxy-propyl) ester Formula: C24H26O8S2 MolecularWeight: 506.58844

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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)OCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)OC(C(CO)OCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H26O8S2/c1-18-13-14-22(33(2,26)27)23(15-18)34(28,29)32-24(31-20-11-7-4-8-12-20)21(16-25)30-17-19-9-5-3-6-10-19/h3-15,21,24-25H,16-17H2,1-2H3