5-(4-butylsulfanyl-3-nitro-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[4-(butylthio)-3-nitrophenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(4-butylsulfanyl-3-nitrophenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[4-(butylthio)-3-nitro-phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S/c1-3-5-8-26-18-7-6-12(9-14(18)20(24)25)13-10-16(22)19(15(21)4-2)17(23)11-13/h6-7,9,13,21H,3-5,8,10-11H2,1-2H3