2,3-bis(oxidanyl)-2-(1-oxidanyl-2,2,2-triphenyl-ethyl)-1-piperidin-1-yl-henicosan-1-one

Systemtic Name: 2,3-bis(oxidanyl)-2-(1-oxidanyl-2,2,2-triphenyl-ethyl)-1-piperidin-1-yl-henicosan-1-one Openeye Name: 2,3-dihydroxy-2-(1-hydroxy-2,2,2-triphenyl-ethyl)-1-(1-piperidyl)henicosan-1-one CAS Name: 2,3-dihydroxy-2-(1-hydroxy-2,2,2-triphenylethyl)-1-(1-piperidinyl)-1-heneicosanone IUPAC Name: 2,3-dihydroxy-2-(1-hydroxy-2,2,2-triphenylethyl)-1-piperidin-1-ylhenicosan-1-one Traditional Name: 2,3-dihydroxy-2-(1-hydroxy-2,2,2-triphenyl-ethyl)-1-piperidino-heneicosan-1-one Formula: C46H67NO4 MolecularWeight: 698.02848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)(C(=O)N4CCCCC4)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)(C(=O)N4CCCCC4)O)O

InChI

InChI=1S/C46H67NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-36-42(48)46(51,44(50)47-37-28-20-29-38-47)43(49)45(39-30-21-17-22-31-39,40-32-23-18-24-33-40)41-34-25-19-26-35-41/h17-19,21-26,30-35,42-43,48-49,51H,2-16,20,27-29,36-38H2,1H3