(5,5-dimethyl-4-tricosa-10,12-diynoyloxy-5-azoniaspiro[2.2]pentan-2-yl) tricosa-10,12-diynoate

Systemtic Name: (5,5-dimethyl-4-tricosa-10,12-diynoyloxy-5-azoniaspiro[2.2]pentan-2-yl) tricosa-10,12-diynoate Openeye Name: (5,5-dimethyl-4-tricosa-10,12-diynoyloxy-5-azoniaspiro[2.2]pentan-2-yl) tricosa-10,12-diynoate CAS Name: tricosa-10,12-diynoic acid [5,5-dimethyl-4-(1-oxotricosa-10,12-diynoxy)-5-azoniaspiro[2.2]pentan-2-yl] ester IUPAC Name: (5,5-dimethyl-4-tricosa-10,12-diynoyloxy-5-azoniaspiro[2.2]pentan-2-yl) tricosa-10,12-diynoate Traditional Name: tricosa-10,12-diynoic acid (5,5-dimethyl-4-tricosa-10,12-diynoyloxy-5-azoniaspiro[2.2]pentan-2-yl) ester Formula: C52H84NO4+ MolecularWeight: 787.22766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC1CC12C([N+]2(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC1CC12C([N+]2(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

InChI

InChI=1S/C52H84NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49(54)56-48-47-52(48)51(53(52,3)4)57-50(55)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h48,51H,5-22,31-47H2,1-4H3/q+1