2-(4-ethanoyl-3-ethoxy-5-oxidanyl-phenyl)-1,1-bis(ethylsulfanyl)-6-nitro-5-phenyl-hept-1-en-3-one

Systemtic Name: 2-(4-ethanoyl-3-ethoxy-5-oxidanyl-phenyl)-1,1-bis(ethylsulfanyl)-6-nitro-5-phenyl-hept-1-en-3-one Openeye Name: 2-(4-acetyl-3-ethoxy-5-hydroxy-phenyl)-1,1-bis(ethylsulfanyl)-6-nitro-5-phenyl-hept-1-en-3-one CAS Name: 2-(4-acetyl-3-ethoxy-5-hydroxyphenyl)-1,1-bis(ethylthio)-6-nitro-5-phenyl-1-hepten-3-one IUPAC Name: 2-(4-acetyl-3-ethoxy-5-hydroxyphenyl)-1,1-bis(ethylsulfanyl)-6-nitro-5-phenylhept-1-en-3-one Traditional Name: 2-(4-acetyl-3-ethoxy-5-hydroxy-phenyl)-1,1-bis(ethylthio)-6-nitro-5-phenyl-hept-1-en-3-one Formula: C27H33NO6S2 MolecularWeight: 531.68402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(=O)C)O)C(=C(SCC)SCC)C(=O)CC(C2=CC=CC=C2)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1C(=O)C)O)C(=C(SCC)SCC)C(=O)CC(C2=CC=CC=C2)C(C)[N+](=O)[O-]

InChI

InChI=1S/C27H33NO6S2/c1-6-34-24-15-20(14-22(30)25(24)18(5)29)26(27(35-7-2)36-8-3)23(31)16-21(17(4)28(32)33)19-12-10-9-11-13-19/h9-15,17,21,30H,6-8,16H2,1-5H3