5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)methylthio]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrobenzyl)thio]cyclohex-2-en-1-one Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SCC2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SCC2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C15H17NO4S/c1-15(2)7-12(17)14(13(18)8-15)21-9-10-3-5-11(6-4-10)16(19)20/h3-6,17H,7-9H2,1-2H3