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methyl 3-[(3-methyl-4-nitro-phenyl)methylsulfanyl]propanoate

methyl 3-[(3-methyl-4-nitro-phenyl)methylsulfanyl]propanoate

Systemtic Name:methyl 3-[(3-methyl-4-nitro-phenyl)methylsulfanyl]propanoate
Openeye Name:methyl 3-[(3-methyl-4-nitro-phenyl)methylsulfanyl]propanoate
CAS Name:3-[(3-methyl-4-nitrophenyl)methylthio]propanoic acid methyl ester
IUPAC Name:methyl 3-[(3-methyl-4-nitrophenyl)methylsulfanyl]propanoate
Traditional Name:3-[(3-methyl-4-nitro-benzyl)thio]propionic acid methyl ester
Formula: C12H15NO4S
MolecularWeight: 269.3168
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSCCC(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C=CC(=C1)CSCCC(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C12H15NO4S/c1-9-7-10(3-4-11(9)13(15)16)8-18-6-5-12(14)17-2/h3-4,7H,5-6,8H2,1-2H3


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