2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate

Systemtic Name: 2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Openeye Name: 2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate CAS Name: 2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate IUPAC Name: 2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Traditional Name: 2-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Formula: C13H13ClN2O6S MolecularWeight: 360.77012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[N+](S2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC2=C(C1)C=[N+](S2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H13N2O2S.ClHO4/c16-15(17)12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)18-14;2-1(3,4)5/h5-9H,1-4H2;(H,2,3,4,5)/q+1;/p-1