sodium 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoate

Systemtic Name: sodium 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoate Openeye Name: sodium 5-[2-(4-pyridyl)-1,3-dithian-4-yl]pentanoate CAS Name: sodium 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoate IUPAC Name: sodium 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoate Traditional Name: sodium 5-[2-(4-pyridyl)-1,3-dithian-4-yl]valerate Formula: C14H18NNaO2S2 MolecularWeight: 319.41799

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1CCCCC(=O)[O-])C2=CC=NC=C2.[Na+]

Isomeric SMILES

C1CSC(SC1CCCCC(=O)[O-])C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C14H19NO2S2.Na/c16-13(17)4-2-1-3-12-7-10-18-14(19-12)11-5-8-15-9-6-11;/h5-6,8-9,12,14H,1-4,7,10H2,(H,16,17);/q;+1/p-1