[3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]carbonyl]phenyl]methyl nitrate

Systemtic Name: [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]carbonyl]phenyl]methyl nitrate Openeye Name: [3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxole-5-carbonyl]phenyl]methyl nitrate CAS Name: nitric acid [3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-oxomethyl]phenyl]methyl ester IUPAC Name: [3-[6-(4-methylsulfonylphenyl)-1,3-benzodioxole-5-carbonyl]phenyl]methyl nitrate Traditional Name: nitric acid [3-[6-(4-mesylphenyl)piperonyloyl]benzyl] ester Formula: C22H17NO8S MolecularWeight: 455.43728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)C4=CC(=CC=C4)CO[N+](=O)[O-])OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)C4=CC(=CC=C4)CO[N+](=O)[O-])OCO3

InChI

InChI=1S/C22H17NO8S/c1-32(27,28)17-7-5-15(6-8-17)18-10-20-21(30-13-29-20)11-19(18)22(24)16-4-2-3-14(9-16)12-31-23(25)26/h2-11H,12-13H2,1H3