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

Systemtic Name: 3-butyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 3-butyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 3-butyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 3-butyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 3-butyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H17NO5S/c1-2-3-9-17-18(13-7-5-4-6-8-13)24-15-12-14(19(20)21)10-11-16(15)25(17,22)23/h4-8,10-12H,2-3,9H2,1H3