2-(methylsulfanylmethyl)-2-(4-nitrophenyl)sulfanyl-butanal

Systemtic Name: 2-(methylsulfanylmethyl)-2-(4-nitrophenyl)sulfanyl-butanal Openeye Name: 2-(methylsulfanylmethyl)-2-(4-nitrophenyl)sulfanyl-butanal CAS Name: 2-[(methylthio)methyl]-2-[(4-nitrophenyl)thio]butanal IUPAC Name: 2-(methylsulfanylmethyl)-2-(4-nitrophenyl)sulfanylbutanal Traditional Name: 2-[(methylthio)methyl]-2-[(4-nitrophenyl)thio]butyraldehyde Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC)(C=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(CSC)(C=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S2/c1-3-12(8-14,9-17-2)18-11-6-4-10(5-7-11)13(15)16/h4-8H,3,9H2,1-2H3