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(4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

(4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name:(4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate
Openeye Name:(4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate
CAS Name:4,5-dimethoxy-2-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester
IUPAC Name:(4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate
Traditional Name:4,5-dimethoxy-2-nitro-benzoic acid [4-(methylthio)benzyl] ester
Formula: C17H17NO6S
MolecularWeight: 363.38498
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-])OC


InChI

InChI=1S/C17H17NO6S/c1-22-15-8-13(14(18(20)21)9-16(15)23-2)17(19)24-10-11-4-6-12(25-3)7-5-11/h4-9H,10H2,1-3H3


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