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methyl 2-(4-nitrophenyl)sulfanylpentanoate

methyl 2-(4-nitrophenyl)sulfanylpentanoate

Systemtic Name:methyl 2-(4-nitrophenyl)sulfanylpentanoate
Openeye Name:methyl 2-(4-nitrophenyl)sulfanylpentanoate
CAS Name:2-[(4-nitrophenyl)thio]pentanoic acid methyl ester
IUPAC Name:methyl 2-(4-nitrophenyl)sulfanylpentanoate
Traditional Name:2-[(4-nitrophenyl)thio]valeric acid methyl ester
Formula: C12H15NO4S
MolecularWeight: 269.3168
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]


Isomeric SMILES

CCCC(C(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]


InChI

InChI=1S/C12H15NO4S/c1-3-4-11(12(14)17-2)18-10-7-5-9(6-8-10)13(15)16/h5-8,11H,3-4H2,1-2H3


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