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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC2(CC1S(=O)(=O)OC3=CC=CC=C3)CC(CN2CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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