2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate

Systemtic Name: 2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate Openeye Name: 2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate CAS Name: 2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate IUPAC Name: 2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate Traditional Name: 2-(4-nitrophenyl)-1,3-benzothiazin-3-ium-4-one perchlorate Formula: C14H9ClN2O7S MolecularWeight: 384.74846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[NH+]=C(S2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[NH+]=C(S2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H8N2O3S.ClHO4/c17-13-11-3-1-2-4-12(11)20-14(15-13)9-5-7-10(8-6-9)16(18)19;2-1(3,4)5/h1-8H;(H,2,3,4,5)