8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C22H26BrNO3S MolecularWeight: 464.41574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCSCC2)CC1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C1C[N+]2(CCSCC2)CC1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C22H26NO3S.BrH/c24-21(26-20-11-12-23(17-20)13-15-27-16-14-23)22(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19;/h1-10,20,25H,11-17H2;1H/q+1;/p-1