1-(5-sulfooxy-1H-indol-2-yl)propane-1-sulfonic acid

Systemtic Name: 1-(5-sulfooxy-1H-indol-2-yl)propane-1-sulfonic acid Openeye Name: 1-(5-sulfooxy-1H-indol-2-yl)propane-1-sulfonic acid CAS Name: 1-(5-sulfooxy-1H-indol-2-yl)-1-propanesulfonic acid IUPAC Name: 1-(5-sulfooxy-1H-indol-2-yl)propane-1-sulfonic acid Traditional Name: 1-(5-sulfoxy-1H-indol-2-yl)propane-1-sulfonic acid Formula: C11H13NO7S2 MolecularWeight: 335.35342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(N1)C=CC(=C2)OS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(C1=CC2=C(N1)C=CC(=C2)OS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H13NO7S2/c1-2-11(20(13,14)15)10-6-7-5-8(19-21(16,17)18)3-4-9(7)12-10/h3-6,11-12H,2H2,1H3,(H,13,14,15)(H,16,17,18)