sodium 4-chloranyl-5-oxidanyl-6-sulfooxy-indole-1-sulfonic acid

Systemtic Name: sodium 4-chloranyl-5-oxidanyl-6-sulfooxy-indole-1-sulfonic acid Openeye Name: sodium 4-chloro-5-hydroxy-6-sulfooxy-indole-1-sulfonic acid CAS Name: sodium 4-chloro-5-hydroxy-6-sulfooxy-1-indolesulfonic acid IUPAC Name: sodium 4-chloro-5-hydroxy-6-sulfooxyindole-1-sulfonic acid Traditional Name: sodium 4-chloro-5-hydroxy-6-sulfoxy-indole-1-sulfonic acid Formula: C8H6ClNNaO8S2+ MolecularWeight: 366.70791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CN(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C8H6ClNO8S2.Na/c9-7-4-1-2-10(19(12,13)14)5(4)3-6(8(7)11)18-20(15,16)17;/h1-3,11H,(H,12,13,14)(H,15,16,17);/q;+1