3-(2-hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one CAS Name: 3-(2-hydroxyethylthio)-1-(3-nitrophenyl)-4-penten-1-one IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one Traditional Name: 3-(2-hydroxyethylthio)-1-(3-nitrophenyl)pent-4-en-1-one Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])SCCO

Isomeric SMILES

C=CC(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])SCCO

InChI

InChI=1S/C13H15NO4S/c1-2-12(19-7-6-15)9-13(16)10-4-3-5-11(8-10)14(17)18/h2-5,8,12,15H,1,6-7,9H2