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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)C5=CC=CC=C5O

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2C4=CC=CC=C4O)C5=CC=CC=C5O

InChI

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