3-methyl-3-nitro-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol

Systemtic Name: 3-methyl-3-nitro-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol Openeye Name: 1-(4-isopropylsulfanylphenoxy)-3-methyl-3-nitro-butan-2-ol CAS Name: 3-methyl-3-nitro-1-[4-(propan-2-ylthio)phenoxy]-2-butanol IUPAC Name: 3-methyl-3-nitro-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol Traditional Name: 1-[4-(isopropylthio)phenoxy]-3-methyl-3-nitro-butan-2-ol Formula: C14H21NO4S MolecularWeight: 299.38584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)OCC(C(C)(C)[N+](=O)[O-])O

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)OCC(C(C)(C)[N+](=O)[O-])O

InChI

InChI=1S/C14H21NO4S/c1-10(2)20-12-7-5-11(6-8-12)19-9-13(16)14(3,4)15(17)18/h5-8,10,13,16H,9H2,1-4H3