3-propan-2-ylbenzenesulfonic acid

Systemtic Name: 3-propan-2-ylbenzenesulfonic acid Openeye Name: 3-isopropylbenzenesulfonic acid CAS Name: 3-propan-2-ylbenzenesulfonic acid IUPAC Name: 3-propan-2-ylbenzenesulfonic acid Traditional Name: 3-isopropylbesylic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C9H12O3S/c1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)