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(2-phenoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

(2-phenoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name:(2-phenoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate
Openeye Name:(2-phenoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate
CAS Name:4-(methylthio)-3-nitrobenzoic acid (2-phenoxyphenyl)methyl ester
IUPAC Name:(2-phenoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate
Traditional Name:4-(methylthio)-3-nitro-benzoic acid (2-phenoxybenzyl) ester
Formula: C21H17NO5S
MolecularWeight: 395.42838
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C21H17NO5S/c1-28-20-12-11-15(13-18(20)22(24)25)21(23)26-14-16-7-5-6-10-19(16)27-17-8-3-2-4-9-17/h2-13H,14H2,1H3


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