2-nitrothiochromeno[4,3-b]indol-11-ium perchlorate

Systemtic Name: 2-nitrothiochromeno[4,3-b]indol-11-ium perchlorate Openeye Name: 2-nitrothiochromeno[4,3-b]indol-11-ium perchlorate CAS Name: 2-nitrothiochromeno[4,3-b]indol-11-ium perchlorate IUPAC Name: 2-nitrothiochromeno[4,3-b]indol-11-ium perchlorate Traditional Name: 2-nitrothiochromen[4,3-b]indol-11-ium perchlorate Formula: C15H9ClN2O6S MolecularWeight: 380.75976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CSC4=C(C3=[NH+]2)C=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CSC4=C(C3=[NH+]2)C=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H8N2O2S.ClHO4/c18-17(19)9-5-6-14-11(7-9)15-12(8-20-14)10-3-1-2-4-13(10)16-15;2-1(3,4)5/h1-8H;(H,2,3,4,5)