2-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-3-morpholin-4-yl-cyclohex-2-en-1-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-3-morpholin-4-yl-cyclohex-2-en-1-one Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-3-morpholino-cyclohex-2-en-1-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enone IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5,5-dimethyl-3-morpholino-cyclohex-2-en-1-one Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C18H21N3O6S/c1-18(2)10-14(19-5-7-27-8-6-19)17(15(22)11-18)28-16-4-3-12(20(23)24)9-13(16)21(25)26/h3-4,9H,5-8,10-11H2,1-2H3