4-(4-nitrophenoxy)-2-[4-(4-nitrophenoxy)-1-oxidanyl-butan-2-yl]sulfanyl-butan-1-ol

Systemtic Name: 4-(4-nitrophenoxy)-2-[4-(4-nitrophenoxy)-1-oxidanyl-butan-2-yl]sulfanyl-butan-1-ol Openeye Name: 2-[1-(hydroxymethyl)-3-(4-nitrophenoxy)propyl]sulfanyl-4-(4-nitrophenoxy)butan-1-ol CAS Name: 2-[[1-hydroxy-4-(4-nitrophenoxy)butan-2-yl]thio]-4-(4-nitrophenoxy)-1-butanol IUPAC Name: 2-[1-hydroxy-4-(4-nitrophenoxy)butan-2-yl]sulfanyl-4-(4-nitrophenoxy)butan-1-ol Traditional Name: 2-[[1-methylol-3-(4-nitrophenoxy)propyl]thio]-4-(4-nitrophenoxy)butan-1-ol Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)SC(CCOC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)SC(CCOC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C20H24N2O8S/c23-13-19(9-11-29-17-5-1-15(2-6-17)21(25)26)31-20(14-24)10-12-30-18-7-3-16(4-8-18)22(27)28/h1-8,19-20,23-24H,9-14H2