4-[(2-octadecylsulfanylethylamino)methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(2-octadecylsulfanylethylamino)methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[(2-octadecylsulfanylethylamino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[2-(octadecylthio)ethylamino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[(2-octadecylsulfanylethylamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[2-(stearylthio)ethylamino]methylene]cyclohexa-2,5-dien-1-one Formula: C27H47NO2S MolecularWeight: 449.73258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCNC=C1C=CC(=O)C=C1O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCNC=C1C=CC(=O)C=C1O

InChI

InChI=1S/C27H47NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-22-20-28-24-25-18-19-26(29)23-27(25)30/h18-19,23-24,28,30H,2-17,20-22H2,1H3