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sodium 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonate

sodium 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name:sodium 3-[(3,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonate
Openeye Name:sodium 3-(3,5-dimethoxy-2-methyl-anilino)-2-hydroxy-propane-1-sulfonate
CAS Name:sodium 3-(3,5-dimethoxy-2-methylanilino)-2-hydroxy-1-propanesulfonate
IUPAC Name:sodium 3-(3,5-dimethoxy-2-methylanilino)-2-hydroxypropane-1-sulfonate
Traditional Name:sodium 3-(3,5-dimethoxy-2-methyl-anilino)-2-hydroxy-propane-1-sulfonate
Formula: C12H18NNaO6S
MolecularWeight: 327.32919
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NCC(CS(=O)(=O)[O-])O)OC)OC.[Na+]


Isomeric SMILES

CC1=C(C=C(C=C1NCC(CS(=O)(=O)[O-])O)OC)OC.[Na+]


InChI

InChI=1S/C12H19NO6S.Na/c1-8-11(4-10(18-2)5-12(8)19-3)13-6-9(14)7-20(15,16)17;/h4-5,9,13-14H,6-7H2,1-3H3,(H,15,16,17);/q;+1/p-1


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