5,5-dimethyl-2,2-bis[(2-nitrophenyl)sulfanyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2,2-bis[(2-nitrophenyl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2,2-bis[(2-nitrophenyl)sulfanyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2,2-bis[(2-nitrophenyl)thio]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2,2-bis[(2-nitrophenyl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2,2-bis[(2-nitrophenyl)thio]cyclohexane-1,3-quinone Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)(SC2=CC=CC=C2[N+](=O)[O-])SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)(SC2=CC=CC=C2[N+](=O)[O-])SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O6S2/c1-19(2)11-17(23)20(18(24)12-19,29-15-9-5-3-7-13(15)21(25)26)30-16-10-6-4-8-14(16)22(27)28/h3-10H,11-12H2,1-2H3