ethyl (E)-7-(4-nitrophenyl)-3-(phenylsulfonyl)hept-4-enoate

Systemtic Name: ethyl (E)-7-(4-nitrophenyl)-3-(phenylsulfonyl)hept-4-enoate Openeye Name: ethyl (E)-3-(benzenesulfonyl)-7-(4-nitrophenyl)hept-4-enoate CAS Name: (E)-3-(benzenesulfonyl)-7-(4-nitrophenyl)-4-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzenesulfonyl)-7-(4-nitrophenyl)hept-4-enoate Traditional Name: (E)-3-besyl-7-(4-nitrophenyl)hept-4-enoic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C=CCCC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(/C=C/CCC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO6S/c1-2-28-21(23)16-20(29(26,27)19-9-4-3-5-10-19)11-7-6-8-17-12-14-18(15-13-17)22(24)25/h3-5,7,9-15,20H,2,6,8,16H2,1H3/b11-7+