diphenyl 7-methylsulfanyl-9-azaspiro[4.4]nonane-3,9-disulfonate

Systemtic Name: diphenyl 7-methylsulfanyl-9-azaspiro[4.4]nonane-3,9-disulfonate Openeye Name: diphenyl 7-methylsulfanyl-9-azaspiro[4.4]nonane-3,9-disulfonate CAS Name: 7-(methylthio)-9-azaspiro[4.4]nonane-3,9-disulfonic acid diphenyl ester IUPAC Name: diphenyl 7-methylsulfanyl-9-azaspiro[4.4]nonane-3,9-disulfonate Traditional Name: 7-(methylthio)-9-azaspiro[4.4]nonane-3,9-disulfonic acid diphenyl ester Formula: C21H25NO6S3 MolecularWeight: 483.6213

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CC2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO6S3/c1-29-19-14-21(22(16-19)31(25,26)28-18-10-6-3-7-11-18)13-12-20(15-21)30(23,24)27-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3