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2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylsulfanyl)ethanoate

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylsulfanyl)ethanoate

Systemtic Name:2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylsulfanyl)ethanoate
Openeye Name:2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylsulfanyl)acetate
CAS Name:2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylthio)acetate
IUPAC Name:2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylsulfanyl)acetate
Traditional Name:2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-3-ium-2-ylthio)acetate
Formula: C11H10N2O4S
MolecularWeight: 266.2731
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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C3C(=C2)[NH+]=C(N3)SCC(=O)[O-]


Isomeric SMILES

C1COC2=C(O1)C=C3C(=C2)[NH+]=C(N3)SCC(=O)[O-]


InChI

InChI=1S/C11H10N2O4S/c14-10(15)5-18-11-12-6-3-8-9(4-7(6)13-11)17-2-1-16-8/h3-4H,1-2,5H2,(H,12,13)(H,14,15)


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