hydrogen sulfate; (E)-2-(5-oxidanyl-1H-indol-3-yl)ethyl-(2-oxidanyl-2-oxidanylidene-ethylidene)azanium

Systemtic Name: hydrogen sulfate; (E)-2-(5-oxidanyl-1H-indol-3-yl)ethyl-(2-oxidanyl-2-oxidanylidene-ethylidene)azanium Openeye Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-2-oxo-ethylidene)ammonium CAS Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-2-oxoethylidene)ammonium IUPAC Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-2-oxoethylidene)azanium Traditional Name: (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-2-keto-ethylidene)ammonium bisulfate Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CC[NH+]=CC(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CC/[NH+]=C/C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O3.H2O4S/c15-9-1-2-11-10(5-9)8(6-14-11)3-4-13-7-12(16)17;1-5(2,3)4/h1-2,5-7,14-15H,3-4H2,(H,16,17);(H2,1,2,3,4)/b13-7+;