sodium 3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-benzenesulfonate

Systemtic Name: sodium 3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-benzenesulfonate Openeye Name: sodium 5-chloro-2-hydroxy-3-isopropyl-6-methyl-benzenesulfonate CAS Name: sodium 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonate IUPAC Name: sodium 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonate Traditional Name: sodium 5-chloro-2-hydroxy-3-isopropyl-6-methyl-besylate Formula: C10H12ClNaO4S MolecularWeight: 286.70765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1S(=O)(=O)[O-])O)C(C)C)Cl.[Na+]

Isomeric SMILES

CC1=C(C=C(C(=C1S(=O)(=O)[O-])O)C(C)C)Cl.[Na+]

InChI

InChI=1S/C10H13ClO4S.Na/c1-5(2)7-4-8(11)6(3)10(9(7)12)16(13,14)15;/h4-5,12H,1-3H3,(H,13,14,15);/q;+1/p-1