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

Systemtic Name: phenyl 3,9-bis(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3,9-bis(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3,9-bis(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3,9-bis(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3,9-bis(2-hydroxyphenyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1C3=CC=CC=C3O)CC(CN2C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1C3=CC=CC=C3O)CC(CN2C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H27NO5S/c28-24-12-6-4-10-22(24)19-14-15-26(16-19)17-21(18-27(26)23-11-5-7-13-25(23)29)33(30,31)32-20-8-2-1-3-9-20/h1-13,19,21,28-29H,14-18H2