diphenyl 4-methylsulfanyl-11-azaspiro[5.5]undecane-10,11-disulfonate

Systemtic Name: diphenyl 4-methylsulfanyl-11-azaspiro[5.5]undecane-10,11-disulfonate Openeye Name: diphenyl 4-methylsulfanyl-11-azaspiro[5.5]undecane-10,11-disulfonate CAS Name: 4-(methylthio)-11-azaspiro[5.5]undecane-10,11-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-methylsulfanyl-11-azaspiro[5.5]undecane-10,11-disulfonate Traditional Name: 4-(methylthio)-11-azaspiro[5.5]undecane-10,11-disulfonic acid diphenyl ester Formula: C23H29NO6S3 MolecularWeight: 511.67446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H29NO6S3/c1-31-21-14-8-16-23(18-21)17-9-15-22(32(25,26)29-19-10-4-2-5-11-19)24(23)33(27,28)30-20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-18H2,1H3