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sodium 2-(2,5-dimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonate

sodium 2-(2,5-dimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonate

Systemtic Name:sodium 2-(2,5-dimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonate
Openeye Name:sodium 2-(4-hydroxy-2,5-dimethyl-benzoyl)benzenesulfonate
CAS Name:sodium 2-[(4-hydroxy-2,5-dimethylphenyl)-oxomethyl]benzenesulfonate
IUPAC Name:sodium 2-(4-hydroxy-2,5-dimethylbenzoyl)benzenesulfonate
Traditional Name:sodium 2-(4-hydroxy-2,5-dimethyl-benzoyl)besylate
Formula: C15H13NaO5S
MolecularWeight: 328.31549
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C)O.[Na+]


Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C)O.[Na+]


InChI

InChI=1S/C15H14O5S.Na/c1-9-8-13(16)10(2)7-12(9)15(17)11-5-3-4-6-14(11)21(18,19)20;/h3-8,16H,1-2H3,(H,18,19,20);/q;+1/p-1


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