(3,5-dimethylphenyl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 4-propan-2-ylbenzenesulfonate Openeye Name: (3,5-dimethylphenyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3S/c1-12(2)15-5-7-17(8-6-15)21(18,19)20-16-10-13(3)9-14(4)11-16/h5-12H,1-4H3