8-[(3,4-dimethylphenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(3,4-dimethylphenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(3,4-dimethylphenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[(3,4-dimethylphenyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(3,4-dimethylphenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[(3,4-dimethylphenyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C17H17NO4S/c1-11-3-4-16(5-12(11)2)23-9-14-7-15(18(19)20)6-13-8-21-10-22-17(13)14/h3-7H,8-10H2,1-2H3