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sodium; 4-(1H-benzimidazol-3-ium-2-yl)-1,3-thiazol-3-ium; oxolane

sodium; 4-(1H-benzimidazol-3-ium-2-yl)-1,3-thiazol-3-ium; oxolane

Systemtic Name:sodium; 4-(1H-benzimidazol-3-ium-2-yl)-1,3-thiazol-3-ium; oxolane
Openeye Name:sodium; 4-(1H-benzimidazol-3-ium-2-yl)thiazol-3-ium; tetrahydrofuran
CAS Name:sodium; 4-(1H-benzimidazol-3-ium-2-yl)thiazol-3-ium; oxolane
IUPAC Name:sodium; 4-(1H-benzimidazol-3-ium-2-yl)-1,3-thiazol-3-ium; oxolane
Traditional Name:sodium; 4-(1H-benzimidazol-3-ium-2-yl)thiazol-3-ium; tetrahydrofuran
Formula: C28H34N6NaO2S2+5
MolecularWeight: 573.72833
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1=CC=C2C(=C1)NC(=[NH+]2)C3=CSC=[NH+]3.C1=CC=C2C(=C1)NC(=[NH+]2)C3=CSC=[NH+]3.[Na+]


Isomeric SMILES

C1CCOC1.C1CCOC1.C1=CC=C2C(=C1)NC(=[NH+]2)C3=CSC=[NH+]3.C1=CC=C2C(=C1)NC(=[NH+]2)C3=CSC=[NH+]3.[Na+]


InChI

InChI=1S/2C10H7N3S.2C4H8O.Na/c2*1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;2*1-2-4-5-3-1;/h2*1-6H,(H,12,13);2*1-4H2;/q;;;;+1/p+4


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