8-[(4-chlorophenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-chlorophenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[(4-chlorophenyl)methylthio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-chlorophenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[(4-chlorobenzyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C16H14ClNO4S MolecularWeight: 351.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO4S/c17-14-3-1-11(2-4-14)8-23-9-13-6-15(18(19)20)5-12-7-21-10-22-16(12)13/h1-6H,7-10H2