phenyl 9-iodanyl-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 9-iodanyl-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-iodo-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-iodo-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-iodo-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-iodo-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C17H24INO5S2 MolecularWeight: 513.41063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2I)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2I)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H24INO5S2/c1-13(2)25(20,21)15-8-9-17(10-15)11-16(12-19(17)18)26(22,23)24-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3