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4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate

4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate

Systemtic Name:4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Openeye Name:4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
CAS Name:4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]-2-butanesulfonate
IUPAC Name:4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Traditional Name:4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Formula: C16H21NO4S2
MolecularWeight: 355.47224
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=[N+](C2=CC=CC=C2S1)CCC(C)S(=O)(=O)[O-])C


Isomeric SMILES

CCOC(=CC1=[N+](C2=CC=CC=C2S1)CCC(C)S(=O)(=O)[O-])C


InChI

InChI=1S/C16H21NO4S2/c1-4-21-12(2)11-16-17(10-9-13(3)23(18,19)20)14-7-5-6-8-15(14)22-16/h5-8,11,13H,4,9-10H2,1-3H3


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