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

Systemtic Name: phenyl 9-ethoxy-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-ethoxy-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-ethoxy-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-ethoxy-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-ethoxy-3-(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC(CC12CCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCON1CC(CC12CCC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO5S/c1-2-27-23-16-19(29(25,26)28-18-8-4-3-5-9-18)15-22(23)13-12-17(14-22)20-10-6-7-11-21(20)24/h3-11,17,19,24H,2,12-16H2,1H3