(3-methyl-5-propan-2-yl-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (3-methyl-5-propan-2-yl-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (3-isopropyl-5-methyl-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (3-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-5-propan-2-ylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (3-isopropyl-5-methyl-phenyl) ester Formula: C17H20O5S2 MolecularWeight: 368.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C17H20O5S2/c1-12(2)14-9-13(3)10-15(11-14)22-24(20,21)17-7-5-16(6-8-17)23(4,18)19/h5-12H,1-4H3