sodium 3,5-bis(chloranyl)-4-propan-2-yl-benzenesulfonate

Systemtic Name: sodium 3,5-bis(chloranyl)-4-propan-2-yl-benzenesulfonate Openeye Name: sodium 3,5-dichloro-4-isopropyl-benzenesulfonate CAS Name: sodium 3,5-dichloro-4-propan-2-ylbenzenesulfonate IUPAC Name: sodium 3,5-dichloro-4-propan-2-ylbenzenesulfonate Traditional Name: sodium 3,5-dichloro-4-isopropyl-besylate Formula: C9H9Cl2NaO3S MolecularWeight: 291.12673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C9H10Cl2O3S.Na/c1-5(2)9-7(10)3-6(4-8(9)11)15(12,13)14;/h3-5H,1-2H3,(H,12,13,14);/q;+1/p-1