diphenyl 3-(phenylmethyl)-10-azaspiro[4.5]decane-6,10-disulfonate

Systemtic Name: diphenyl 3-(phenylmethyl)-10-azaspiro[4.5]decane-6,10-disulfonate Openeye Name: diphenyl 3-benzyl-10-azaspiro[4.5]decane-6,10-disulfonate CAS Name: 3-(phenylmethyl)-10-azaspiro[4.5]decane-6,10-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-benzyl-10-azaspiro[4.5]decane-6,10-disulfonate Traditional Name: 3-benzyl-10-azaspiro[4.5]decane-6,10-disulfonic acid diphenyl ester Formula: C28H31NO6S2 MolecularWeight: 541.67884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(CCC(C2)CC3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(C2(CCC(C2)CC3=CC=CC=C3)N(C1)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H31NO6S2/c30-36(31,34-25-13-6-2-7-14-25)27-17-10-20-29(37(32,33)35-26-15-8-3-9-16-26)28(27)19-18-24(22-28)21-23-11-4-1-5-12-23/h1-9,11-16,24,27H,10,17-22H2