(2-propan-2-ylphenyl) 4-chloranylbenzenesulfonate hydrate

Systemtic Name: (2-propan-2-ylphenyl) 4-chloranylbenzenesulfonate hydrate Openeye Name: (2-isopropylphenyl) 4-chlorobenzenesulfonate hydrate CAS Name: 4-chlorobenzenesulfonic acid (2-propan-2-ylphenyl) ester hydrate IUPAC Name: (2-propan-2-ylphenyl) 4-chlorobenzenesulfonate hydrate Traditional Name: 4-chlorobenzenesulfonic acid o-cumenyl ester hydrate Formula: C15H17ClO4S MolecularWeight: 328.81108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl.O

Isomeric SMILES

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl.O

InChI

InChI=1S/C15H15ClO3S.H2O/c1-11(2)14-5-3-4-6-15(14)19-20(17,18)13-9-7-12(16)8-10-13;/h3-11H,1-2H3;1H2