phenyl 10-bromanyl-11-iodanyl-11-azaspiro[5.5]undecane-4-sulfonate

Systemtic Name: phenyl 10-bromanyl-11-iodanyl-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 10-bromo-11-iodo-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 10-bromo-11-iodo-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 10-bromo-11-iodo-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 10-bromo-11-iodo-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester Formula: C16H21BrINO3S MolecularWeight: 514.21631

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2I)Br)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2I)Br)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H21BrINO3S/c17-15-9-5-11-16(19(15)18)10-4-8-14(12-16)23(20,21)22-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2