1-(4-methylphenyl)sulfonyl-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-(4-nitrophenoxy)-3-(p-tolylsulfonyl)propan-2-ol CAS Name: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-(4-nitrophenoxy)-3-tosyl-propan-2-ol Formula: C16H17NO6S MolecularWeight: 351.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO6S/c1-12-2-8-16(9-3-12)24(21,22)11-14(18)10-23-15-6-4-13(5-7-15)17(19)20/h2-9,14,18H,10-11H2,1H3