hydrogen sulfate; N-[9,10,10-tris(oxidanylidene)thioxanthen-9a-ylium-3-ylidene]methanimidamide

Systemtic Name: hydrogen sulfate; N-[9,10,10-tris(oxidanylidene)thioxanthen-9a-ylium-3-ylidene]methanimidamide Openeye Name: hydrogen sulfate; N-(9,10,10-trioxothioxanthen-9a-ylium-3-ylidene)formamidine CAS Name: hydrogen sulfate; N-(9,10,10-trioxo-3-thioxanthen-9a-yliumylidene)methanimidamide IUPAC Name: hydrogen sulfate; N-(9,10,10-trioxothioxanthen-9a-ylium-3-ylidene)methanimidamide Traditional Name: N-(9,10,10-triketothioxanthen-9a-ylium-3-ylidene)formamidine bisulfate Formula: C14H10N2O7S2 MolecularWeight: 382.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[C+]3C=CC(=NC=N)C=C3S2(=O)=O.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[C+]3C=CC(=NC=N)C=C3S2(=O)=O.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H9N2O3S.H2O4S/c15-8-16-9-5-6-11-13(7-9)20(18,19)12-4-2-1-3-10(12)14(11)17;1-5(2,3)4/h1-8,15H;(H2,1,2,3,4)/q+1;/p-1