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3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium

3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name:3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium
Openeye Name:3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium
CAS Name:3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium
IUPAC Name:3-[(3,5-dinitrophenyl)methyl]-2-methyl-1,3-benzothiazol-3-ium
Traditional Name:3-(3,5-dinitrobenzyl)-2-methyl-1,3-benzothiazol-3-ium
Formula: C15H12N3O4S+
MolecularWeight: 330.33848
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C15H12N3O4S/c1-10-16(14-4-2-3-5-15(14)23-10)9-11-6-12(17(19)20)8-13(7-11)18(21)22/h2-8H,9H2,1H3/q+1


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