5-methoxy-1H-indol-6-ol; (6-methoxy-1H-indol-5-yl) hydrogen sulfate

Systemtic Name: 5-methoxy-1H-indol-6-ol; (6-methoxy-1H-indol-5-yl) hydrogen sulfate Openeye Name: 5-methoxy-1H-indol-6-ol; (6-methoxy-1H-indol-5-yl) hydrogen sulfate CAS Name: 5-methoxy-1H-indol-6-ol; sulfuric acid (6-methoxy-1H-indol-5-yl) ester IUPAC Name: 5-methoxy-1H-indol-6-ol; (6-methoxy-1H-indol-5-yl) hydrogen sulfate Traditional Name: 5-methoxy-1H-indol-6-ol; sulfuric acid (6-methoxy-1H-indol-5-yl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN2)O.COC1=C(C=C2C=CNC2=C1)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN2)O.COC1=C(C=C2C=CNC2=C1)OS(=O)(=O)O

InChI

InChI=1S/C9H9NO5S.C9H9NO2/c1-14-8-5-7-6(2-3-10-7)4-9(8)15-16(11,12)13;1-12-9-4-6-2-3-10-7(6)5-8(9)11/h2-5,10H,1H3,(H,11,12,13);2-5,10-11H,1H3