sodium; methanesulfonate; 1-methoxy-4-(3-methylbutan-2-yl)benzene

Systemtic Name: sodium; methanesulfonate; 1-methoxy-4-(3-methylbutan-2-yl)benzene Openeye Name: sodium; 1-(1,2-dimethylpropyl)-4-methoxy-benzene; methanesulfonate CAS Name: sodium; methanesulfonate; 1-methoxy-4-(3-methylbutan-2-yl)benzene IUPAC Name: sodium; methanesulfonate; 1-methoxy-4-(3-methylbutan-2-yl)benzene Traditional Name: sodium 1-(1,2-dimethylpropyl)-4-methoxy-benzene mesylate Formula: C13H21NaO4S MolecularWeight: 296.35821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1=CC=C(C=C1)OC.CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(C)C1=CC=C(C=C1)OC.CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H18O.CH4O3S.Na/c1-9(2)10(3)11-5-7-12(13-4)8-6-11;1-5(2,3)4;/h5-10H,1-4H3;1H3,(H,2,3,4);/q;;+1/p-1