2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate

Systemtic Name: 2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate Openeye Name: 2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate CAS Name: 2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate IUPAC Name: 2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate Traditional Name: 2-phenyl-1,3-benzothiazin-3-ium-4-one perchlorate Formula: C14H10ClNO5S MolecularWeight: 339.7509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(=O)C3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(=O)C3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H9NOS.ClHO4/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10;2-1(3,4)5/h1-9H;(H,2,3,4,5)