hydrogen sulfate; 2-pyridin-1-ium-4-ylbenzo[h]chromen-4-one

Systemtic Name: hydrogen sulfate; 2-pyridin-1-ium-4-ylbenzo[h]chromen-4-one Openeye Name: hydrogen sulfate; 2-pyridin-1-ium-4-ylbenzo[h]chromen-4-one CAS Name: hydrogen sulfate; 2-(4-pyridin-1-iumyl)-4-benzo[h][1]benzopyranone IUPAC Name: hydrogen sulfate; 2-pyridin-1-ium-4-ylbenzo[h]chromen-4-one Traditional Name: 2-pyridin-1-ium-4-ylbenzo[h]chromen-4-one bisulfate Formula: C18H13NO6S MolecularWeight: 371.36392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=[NH+]C=C4.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=[NH+]C=C4.OS(=O)(=O)[O-]

InChI

InChI=1S/C18H11NO2.H2O4S/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18;1-5(2,3)4/h1-11H;(H2,1,2,3,4)