diphenyl 3-(phenylmethyl)-9-azaspiro[4.4]nonane-7,9-disulfonate

Systemtic Name: diphenyl 3-(phenylmethyl)-9-azaspiro[4.4]nonane-7,9-disulfonate Openeye Name: diphenyl 3-benzyl-9-azaspiro[4.4]nonane-7,9-disulfonate CAS Name: 3-(phenylmethyl)-9-azaspiro[4.4]nonane-7,9-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-benzyl-9-azaspiro[4.4]nonane-7,9-disulfonate Traditional Name: 3-benzyl-9-azaspiro[4.4]nonane-7,9-disulfonic acid diphenyl ester Formula: C27H29NO6S2 MolecularWeight: 527.65226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1CC3=CC=CC=C3)CC(CN2S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H29NO6S2/c29-35(30,33-24-12-6-2-7-13-24)26-20-27(17-16-23(19-27)18-22-10-4-1-5-11-22)28(21-26)36(31,32)34-25-14-8-3-9-15-25/h1-15,23,26H,16-21H2