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

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


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