(4-pentylphenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (4-pentylphenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-pentylphenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-amylphenyl) ester Formula: C18H22O5S2 MolecularWeight: 382.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H22O5S2/c1-3-4-5-6-15-7-9-16(10-8-15)23-25(21,22)18-13-11-17(12-14-18)24(2,19)20/h7-14H,3-6H2,1-2H3