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

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

Systemtic Name:4-chloranyl-5-oxidanyl-6-sulfooxy-indole-1-sulfonic acid
Openeye Name:4-chloro-5-hydroxy-6-sulfooxy-indole-1-sulfonic acid
CAS Name:4-chloro-5-hydroxy-6-sulfooxy-1-indolesulfonic acid
IUPAC Name:4-chloro-5-hydroxy-6-sulfooxyindole-1-sulfonic acid
Traditional Name:4-chloro-5-hydroxy-6-sulfoxy-indole-1-sulfonic acid
Formula: C8H6ClNO8S2
MolecularWeight: 343.71814
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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


Isomeric SMILES

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


InChI

InChI=1S/C8H6ClNO8S2/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)


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