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sodium 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonate

sodium 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonate

Systemtic Name:sodium 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonate
Openeye Name:sodium 1,1,3,3-tetraethylisoindoline-5-sulfonate
CAS Name:sodium 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonate
IUPAC Name:sodium 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonate
Traditional Name:sodium 1,1,3,3-tetraethylisoindoline-5-sulfonate
Formula: C16H24NNaO3S
MolecularWeight: 333.42143
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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(N1)(CC)CC)CC.[Na+]


Isomeric SMILES

CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(N1)(CC)CC)CC.[Na+]


InChI

InChI=1S/C16H25NO3S.Na/c1-5-15(6-2)13-10-9-12(21(18,19)20)11-14(13)16(7-3,8-4)17-15;/h9-11,17H,5-8H2,1-4H3,(H,18,19,20);/q;+1/p-1


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