disodium 4-chloranyl-5-oxidanyl-6-sulfonatooxy-indole-1-sulfonate

Systemtic Name: disodium 4-chloranyl-5-oxidanyl-6-sulfonatooxy-indole-1-sulfonate Openeye Name: disodium 4-chloro-5-hydroxy-6-sulfonatooxy-indole-1-sulfonate CAS Name: disodium 4-chloro-5-hydroxy-6-sulfonatooxy-1-indolesulfonate IUPAC Name: disodium 4-chloro-5-hydroxy-6-sulfonatooxyindole-1-sulfonate Traditional Name: disodium 4-chloro-5-hydroxy-6-sulfato-indole-1-sulfonate Formula: C8H4ClNNa2O8S2 MolecularWeight: 387.6818

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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+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClNO8S2.2Na/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;2*+1/p-2