5-acetyloxy-6-sulfooxy-indole-1-sulfonic acid

Systemtic Name: 5-acetyloxy-6-sulfooxy-indole-1-sulfonic acid Openeye Name: 5-acetoxy-6-sulfooxy-indole-1-sulfonic acid CAS Name: 5-acetyloxy-6-sulfooxy-1-indolesulfonic acid IUPAC Name: 5-acetyloxy-6-sulfooxyindole-1-sulfonic acid Traditional Name: 5-acetoxy-6-sulfoxy-indole-1-sulfonic acid Formula: C10H9NO9S2 MolecularWeight: 351.30976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C=CN2S(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C=CN2S(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H9NO9S2/c1-6(12)19-9-4-7-2-3-11(21(13,14)15)8(7)5-10(9)20-22(16,17)18/h2-5H,1H3,(H,13,14,15)(H,16,17,18)