phenyl 9-bromanyl-7-oxidanyl-9-azaspiro[4.4]nonane-3-sulfonate

Systemtic Name: phenyl 9-bromanyl-7-oxidanyl-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-bromo-7-hydroxy-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-bromo-7-hydroxy-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 9-bromo-7-hydroxy-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 9-bromo-7-hydroxy-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2Br)O

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2Br)O

InChI

InChI=1S/C14H18BrNO4S/c15-16-10-11(17)8-14(16)7-6-13(9-14)21(18,19)20-12-4-2-1-3-5-12/h1-5,11,13,17H,6-10H2