7-nitro-2-phenyl-3-(phenylmethyl)-1,4$l^{6}-benzoxathiine 4,4-dioxide

Systemtic Name: 7-nitro-2-phenyl-3-(phenylmethyl)-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 3-benzyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 7-nitro-2-phenyl-3-(phenylmethyl)-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 3-benzyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 3-benzyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C21H15NO5S MolecularWeight: 393.4125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(OC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(OC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15NO5S/c23-22(24)17-11-12-19-18(14-17)27-21(16-9-5-2-6-10-16)20(28(19,25)26)13-15-7-3-1-4-8-15/h1-12,14H,13H2