tert-butyl 3-methyl-3,5-bis(oxidanyl)-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanyl)hexanoate

Systemtic Name: tert-butyl 3-methyl-3,5-bis(oxidanyl)-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanyl)hexanoate Openeye Name: tert-butyl 3,5-dihydroxy-3-methyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanyl)hexanoate CAS Name: 3,5-dihydroxy-3-methyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylthio)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dihydroxy-3-methyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanyl)hexanoate Traditional Name: 3,5-dihydroxy-3-methyl-6-(1H-phenanthr[9,10-d]imidazol-2-ylthio)hexanoic acid tert-butyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C)(CC(CSC1=NC2=C(N1)C3=CC=CC=C3C4=CC=CC=C42)O)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C)(CC(CSC1=NC2=C(N1)C3=CC=CC=C3C4=CC=CC=C42)O)O

InChI

InChI=1S/C26H30N2O4S/c1-25(2,3)32-21(30)14-26(4,31)13-16(29)15-33-24-27-22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)23(22)28-24/h5-12,16,29,31H,13-15H2,1-4H3,(H,27,28)