phenyl 9-iodanyl-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate

Systemtic Name: phenyl 9-iodanyl-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-iodo-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-iodo-7-(methylthio)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 9-iodo-7-methylsulfanyl-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 9-iodo-7-(methylthio)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C15H20INO3S2 MolecularWeight: 453.35867

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)I

Isomeric SMILES

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)I

InChI

InChI=1S/C15H20INO3S2/c1-21-13-9-15(17(16)11-13)8-7-14(10-15)22(18,19)20-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3