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

Systemtic Name: 3-(2-methylprop-2-enyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 3-(2-methylallyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 3-(2-methylprop-2-enyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 3-(2-methylprop-2-enyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 3-(2-methylallyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=C)CC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15NO5S/c1-12(2)10-17-18(13-6-4-3-5-7-13)24-15-11-14(19(20)21)8-9-16(15)25(17,22)23/h3-9,11H,1,10H2,2H3