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

Systemtic Name: 3-ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 3-ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 3-ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 3-ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 3-ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13NO5S/c1-2-14-16(11-6-4-3-5-7-11)22-13-10-12(17(18)19)8-9-15(13)23(14,20)21/h3-10H,2H2,1H3