5-(4-butylsulfanyl-3-nitro-phenyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-3-hydroxy-cyclohex-2-en-1-one CAS Name: 5-[4-(butylthio)-3-nitrophenyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 5-(4-butylsulfanyl-3-nitrophenyl)-3-hydroxycyclohex-2-en-1-one Traditional Name: 5-[4-(butylthio)-3-nitro-phenyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C2CC(=CC(=O)C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C2CC(=CC(=O)C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO4S/c1-2-3-6-22-16-5-4-11(9-15(16)17(20)21)12-7-13(18)10-14(19)8-12/h4-5,9-10,12,18H,2-3,6-8H2,1H3