(2,3,4,5,6-pentamethylphenyl) benzenesulfonate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl) benzenesulfonate Openeye Name: (2,3,4,5,6-pentamethylphenyl) benzenesulfonate CAS Name: benzenesulfonic acid (2,3,4,5,6-pentamethylphenyl) ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,3,4,5,6-pentamethylphenyl) ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)OS(=O)(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)OS(=O)(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C17H20O3S/c1-11-12(2)14(4)17(15(5)13(11)3)20-21(18,19)16-9-7-6-8-10-16/h6-10H,1-5H3