sodium 3-[(3,5-dimethoxyphenyl)(ethyl)amino]-2-hydroxypropane-1-sulfonate

CAS: 83777-30-4

Formula: C13H20NNaO6S

SMILES: [Na+].CCN(CC(O)CS([O-])(=O)=O)C1=CC(OC)=CC(OC)=C1

IUPAC: sodium 3-[(3,5-dimethoxyphenyl)(ethyl)amino]-2-hydroxypropane-1-sulfonate

InChI: InChI=1/C13H21NO6S.Na/c1-4-14(8-11(15)9-21(16,17)18)10-5-12(19-2)7-13(6-10)20-3;/h5-7,11,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1

Composition: C (45.74%), H (5.91%), N (4.10%), Na (6.73%), O (28.12%), S (9.39%)

Molar Mass: 341.35

Atom Count: 42

Heavy Atom Count: 22