3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 7-nitro-3-p-anisyl-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(OC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(OC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17NO6S/c1-28-18-10-7-15(8-11-18)13-21-22(16-5-3-2-4-6-16)29-19-14-17(23(24)25)9-12-20(19)30(21,26)27/h2-12,14H,13H2,1H3