disodium 5-acetyloxy-6-sulfonatooxy-indole-1-sulfonate

Systemtic Name: disodium 5-acetyloxy-6-sulfonatooxy-indole-1-sulfonate Openeye Name: disodium 5-acetoxy-6-sulfonatooxy-indole-1-sulfonate CAS Name: disodium 5-acetyloxy-6-sulfonatooxy-1-indolesulfonate IUPAC Name: disodium 5-acetyloxy-6-sulfonatooxyindole-1-sulfonate Traditional Name: disodium 5-acetoxy-6-sulfato-indole-1-sulfonate Formula: C10H7NNa2O9S2 MolecularWeight: 395.27342

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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-].[Na+].[Na+]

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C=CN2S(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H9NO9S2.2Na/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);;/q;2*+1/p-2