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4-nitro-3-(phenylmethylsulfanyl)butanal

4-nitro-3-(phenylmethylsulfanyl)butanal

Systemtic Name:4-nitro-3-(phenylmethylsulfanyl)butanal
Openeye Name:3-benzylsulfanyl-4-nitro-butanal
CAS Name:4-nitro-3-(phenylmethylthio)butanal
IUPAC Name:3-benzylsulfanyl-4-nitrobutanal
Traditional Name:3-(benzylthio)-4-nitro-butyraldehyde
Formula: C11H13NO3S
MolecularWeight: 239.29082
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H13NO3S/c13-7-6-11(8-12(14)15)16-9-10-4-2-1-3-5-10/h1-5,7,11H,6,8-9H2


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