phenyl 9-chloranyl-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate

Systemtic Name: phenyl 9-chloranyl-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate Openeye Name: phenyl 9-chloro-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate CAS Name: 9-chloro-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 9-chloro-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonate Traditional Name: 9-chloro-7-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-3-sulfonic acid phenyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2Cl)C4=CC=CC=C4O

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2Cl)C4=CC=CC=C4O

InChI

InChI=1S/C20H22ClNO4S/c21-22-14-15(18-8-4-5-9-19(18)23)12-20(22)11-10-17(13-20)27(24,25)26-16-6-2-1-3-7-16/h1-9,15,17,23H,10-14H2