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sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonate hydrate

sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonate hydrate

Systemtic Name:sodium 3-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonate hydrate
Openeye Name:sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonate hydrate
CAS Name:sodium 3-(N-ethyl-3-methoxyanilino)-1-propanesulfonate hydrate
IUPAC Name:sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate hydrate
Traditional Name:sodium 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonate hydrate
Formula: C12H20NNaO5S
MolecularWeight: 313.34567
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.O.[Na+]


Isomeric SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.O.[Na+]


InChI

InChI=1S/C12H19NO4S.Na.H2O/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);;1H2/q;+1;/p-1


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