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

Systemtic Name: 5-oxidanyl-6-sulfooxy-indole-1-sulfonic acid Openeye Name: 5-hydroxy-6-sulfooxy-indole-1-sulfonic acid CAS Name: 5-hydroxy-6-sulfooxy-1-indolesulfonic acid IUPAC Name: 5-hydroxy-6-sulfooxyindole-1-sulfonic acid Traditional Name: 5-hydroxy-6-sulfoxy-indole-1-sulfonic acid Formula: C8H7NO8S2 MolecularWeight: 309.27308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C(C=C21)O)OS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CN(C2=CC(=C(C=C21)O)OS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H7NO8S2/c10-7-3-5-1-2-9(18(11,12)13)6(5)4-8(7)17-19(14,15)16/h1-4,10H,(H,11,12,13)(H,14,15,16)