sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate

Systemtic Name: sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate Openeye Name: sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate CAS Name: sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate IUPAC Name: sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate Traditional Name: sodium (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonate Formula: C12H14NNaO3S MolecularWeight: 275.29923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC=CC=C2N1)CS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C=C(C2=CC=CC=C2N1)CS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H15NO3S.Na/c1-12(2)7-9(8-17(14,15)16)10-5-3-4-6-11(10)13-12;/h3-7,13H,8H2,1-2H3,(H,14,15,16);/q;+1/p-1