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6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium

6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name:6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
Openeye Name:6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
CAS Name:6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
IUPAC Name:6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
Traditional Name:6-diethoxyphosphoryl-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
Formula: C14H21NO3PS+
MolecularWeight: 314.360201
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)P(=O)(OCC)OCC)C


Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)P(=O)(OCC)OCC)C


InChI

InChI=1S/C14H21NO3PS/c1-5-15-11(4)20-14-10-12(8-9-13(14)15)19(16,17-6-2)18-7-3/h8-10H,5-7H2,1-4H3/q+1


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