6-(4-methylphenyl)sulfanyl-7-nitro-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-7-nitro-2,3-dihydro-1,4-benzodioxine Openeye Name: 7-nitro-6-(p-tolylsulfanyl)-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(4-methylphenyl)thio]-7-nitro-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-(4-methylphenyl)sulfanyl-7-nitro-2,3-dihydro-1,4-benzodioxine Traditional Name: 7-nitro-6-(p-tolylthio)-2,3-dihydro-1,4-benzodioxin Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C15H13NO4S/c1-10-2-4-11(5-3-10)21-15-9-14-13(19-6-7-20-14)8-12(15)16(17)18/h2-5,8-9H,6-7H2,1H3