2-(2-nitrophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-nitrophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-(2-nitrophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(2-nitrophenyl)thio]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-(2-nitrophenyl)sulfanyl-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(2-nitrophenyl)thio]-5-phenyl-cyclohexane-1,3-quinone Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(C1=O)SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,18H,10-11H2